1-[2-[[1-(3-azanylbutanoyl)piperidin-3-yl]carbamoylamino]-3-naphthalen-2-yl-propanoyl]-N-ethyl-3-(phenylmethyl)piperidine-3-carboxamide

Systemtic Name: 1-[2-[[1-(3-azanylbutanoyl)piperidin-3-yl]carbamoylamino]-3-naphthalen-2-yl-propanoyl]-N-ethyl-3-(phenylmethyl)piperidine-3-carboxamide Openeye Name: 1-[2-[[1-(3-aminobutanoyl)-3-piperidyl]carbamoylamino]-3-(2-naphthyl)propanoyl]-3-benzyl-N-ethyl-piperidine-3-carboxamide CAS Name: 1-[2-[[[[1-(3-amino-1-oxobutyl)-3-piperidinyl]amino]-oxomethyl]amino]-3-(2-naphthalenyl)-1-oxopropyl]-N-ethyl-3-(phenylmethyl)-3-piperidinecarboxamide IUPAC Name: 1-[2-[[1-(3-aminobutanoyl)piperidin-3-yl]carbamoylamino]-3-naphthalen-2-ylpropanoyl]-3-benzyl-N-ethylpiperidine-3-carboxamide Traditional Name: 1-[2-[[1-(3-aminobutanoyl)-3-piperidyl]carbamoylamino]-3-(2-naphthyl)propanoyl]-3-benzyl-N-ethyl-nipecotamide Formula: C38H50N6O4 MolecularWeight: 654.8414

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1(CCCN(C1)C(=O)C(CC2=CC3=CC=CC=C3C=C2)NC(=O)NC4CCCN(C4)C(=O)CC(C)N)CC5=CC=CC=C5

Isomeric SMILES

CCNC(=O)C1(CCCN(C1)C(=O)C(CC2=CC3=CC=CC=C3C=C2)NC(=O)NC4CCCN(C4)C(=O)CC(C)N)CC5=CC=CC=C5

InChI

InChI=1S/C38H50N6O4/c1-3-40-36(47)38(24-28-11-5-4-6-12-28)18-10-20-44(26-38)35(46)33(23-29-16-17-30-13-7-8-14-31(30)22-29)42-37(48)41-32-15-9-19-43(25-32)34(45)21-27(2)39/h4-8,11-14,16-17,22,27,32-33H,3,9-10,15,18-21,23-26,39H2,1-2H3,(H,40,47)(H2,41,42,48)