N-[5-[(1-azanyl-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl)carbamoylamino]-2-(4-cyclohexylpiperazin-1-yl)phenyl]-4-phenyl-butanamide

Systemtic Name: N-[5-[(1-azanyl-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl)carbamoylamino]-2-(4-cyclohexylpiperazin-1-yl)phenyl]-4-phenyl-butanamide Openeye Name: N-[5-[[2-amino-1-(2-naphthylmethyl)-2-oxo-ethyl]carbamoylamino]-2-(4-cyclohexylpiperazin-1-yl)phenyl]-4-phenyl-butanamide CAS Name: N-[5-[[[[1-amino-3-(2-naphthalenyl)-1-oxopropan-2-yl]amino]-oxomethyl]amino]-2-(4-cyclohexyl-1-piperazinyl)phenyl]-4-phenylbutanamide IUPAC Name: N-[5-[(1-amino-3-naphthalen-2-yl-1-oxopropan-2-yl)carbamoylamino]-2-(4-cyclohexylpiperazin-1-yl)phenyl]-4-phenylbutanamide Traditional Name: N-[5-[[2-amino-2-keto-1-(2-naphthylmethyl)ethyl]carbamoylamino]-2-(4-cyclohexylpiperazino)phenyl]-4-phenyl-butyramide Formula: C40H48N6O3 MolecularWeight: 660.84752

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCN(CC2)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

C1CCC(CC1)N2CCN(CC2)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/C40H48N6O3/c41-39(48)36(27-30-18-19-31-13-7-8-14-32(31)26-30)44-40(49)42-33-20-21-37(46-24-22-45(23-25-46)34-15-5-2-6-16-34)35(28-33)43-38(47)17-9-12-29-10-3-1-4-11-29/h1,3-4,7-8,10-11,13-14,18-21,26,28,34,36H,2,5-6,9,12,15-17,22-25,27H2,(H2,41,48)(H,43,47)(H2,42,44,49)