N-[5-[(1-azanyl-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl)carbamoylamino]-2-(4-piperidin-4-ylcarbonyl-1,4-diazepan-1-yl)phenyl]-4-phenyl-butanamide

Systemtic Name: N-[5-[(1-azanyl-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl)carbamoylamino]-2-(4-piperidin-4-ylcarbonyl-1,4-diazepan-1-yl)phenyl]-4-phenyl-butanamide Openeye Name: N-[5-[[2-amino-1-(2-naphthylmethyl)-2-oxo-ethyl]carbamoylamino]-2-[4-(piperidine-4-carbonyl)-1,4-diazepan-1-yl]phenyl]-4-phenyl-butanamide CAS Name: N-[5-[[[[1-amino-3-(2-naphthalenyl)-1-oxopropan-2-yl]amino]-oxomethyl]amino]-2-[4-[oxo(4-piperidinyl)methyl]-1,4-diazepan-1-yl]phenyl]-4-phenylbutanamide IUPAC Name: N-[5-[(1-amino-3-naphthalen-2-yl-1-oxopropan-2-yl)carbamoylamino]-2-[4-(piperidine-4-carbonyl)-1,4-diazepan-1-yl]phenyl]-4-phenylbutanamide Traditional Name: N-[5-[[2-amino-2-keto-1-(2-naphthylmethyl)ethyl]carbamoylamino]-2-(4-isonipecotoyl-1,4-diazepan-1-yl)phenyl]-4-phenyl-butyramide Formula: C41H49N7O4 MolecularWeight: 703.87226

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2CCNCC2)C3=C(C=C(C=C3)NC(=O)NC(CC4=CC5=CC=CC=C5C=C4)C(=O)N)NC(=O)CCCC6=CC=CC=C6

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2CCNCC2)C3=C(C=C(C=C3)NC(=O)NC(CC4=CC5=CC=CC=C5C=C4)C(=O)N)NC(=O)CCCC6=CC=CC=C6

InChI

InChI=1S/C41H49N7O4/c42-39(50)36(27-30-14-15-31-11-4-5-12-33(31)26-30)46-41(52)44-34-16-17-37(35(28-34)45-38(49)13-6-10-29-8-2-1-3-9-29)47-22-7-23-48(25-24-47)40(51)32-18-20-43-21-19-32/h1-5,8-9,11-12,14-17,26,28,32,36,43H,6-7,10,13,18-25,27H2,(H2,42,50)(H,45,49)(H2,44,46,52)