1-[2-[[1-(6-azanylhexanoyl)-4-methyl-piperidin-4-yl]carbonylamino]-3-naphthalen-2-yl-propanoyl]-N-ethyl-3-(phenylmethyl)piperidine-3-carboxamide

Systemtic Name: 1-[2-[[1-(6-azanylhexanoyl)-4-methyl-piperidin-4-yl]carbonylamino]-3-naphthalen-2-yl-propanoyl]-N-ethyl-3-(phenylmethyl)piperidine-3-carboxamide Openeye Name: 1-[2-[[1-(6-aminohexanoyl)-4-methyl-piperidine-4-carbonyl]amino]-3-(2-naphthyl)propanoyl]-3-benzyl-N-ethyl-piperidine-3-carboxamide CAS Name: 1-[2-[[[1-(6-amino-1-oxohexyl)-4-methyl-4-piperidinyl]-oxomethyl]amino]-3-(2-naphthalenyl)-1-oxopropyl]-N-ethyl-3-(phenylmethyl)-3-piperidinecarboxamide IUPAC Name: 1-[2-[[1-(6-aminohexanoyl)-4-methylpiperidine-4-carbonyl]amino]-3-naphthalen-2-ylpropanoyl]-3-benzyl-N-ethylpiperidine-3-carboxamide Traditional Name: 1-[2-[[1-(6-aminohexanoyl)-4-methyl-isonipecotoyl]amino]-3-(2-naphthyl)propanoyl]-3-benzyl-N-ethyl-nipecotamide Formula: C41H55N5O4 MolecularWeight: 681.9065

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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)C4(CCN(CC4)C(=O)CCCCCN)C)CC5=CC=CC=C5

Isomeric SMILES

CCNC(=O)C1(CCCN(C1)C(=O)C(CC2=CC3=CC=CC=C3C=C2)NC(=O)C4(CCN(CC4)C(=O)CCCCCN)C)CC5=CC=CC=C5

InChI

InChI=1S/C41H55N5O4/c1-3-43-39(50)41(29-31-13-6-4-7-14-31)20-12-24-46(30-41)37(48)35(28-32-18-19-33-15-9-10-16-34(33)27-32)44-38(49)40(2)21-25-45(26-22-40)36(47)17-8-5-11-23-42/h4,6-7,9-10,13-16,18-19,27,35H,3,5,8,11-12,17,20-26,28-30,42H2,1-2H3,(H,43,50)(H,44,49)