N-aminocarbonyl-2-azanyl-N-[6-azanyl-1-[2-[2-(3-methoxyphenyl)ethyl]-4-pyridin-4-yl-piperazin-1-yl]-1-oxidanylidene-hexan-2-yl]-3-naphthalen-1-yl-propanamide

Systemtic Name: N-aminocarbonyl-2-azanyl-N-[6-azanyl-1-[2-[2-(3-methoxyphenyl)ethyl]-4-pyridin-4-yl-piperazin-1-yl]-1-oxidanylidene-hexan-2-yl]-3-naphthalen-1-yl-propanamide Openeye Name: 2-amino-N-[5-amino-1-[2-[2-(3-methoxyphenyl)ethyl]-4-(4-pyridyl)piperazine-1-carbonyl]pentyl]-N-carbamoyl-3-(1-naphthyl)propanamide CAS Name: 2-amino-N-[6-amino-1-[2-[2-(3-methoxyphenyl)ethyl]-4-pyridin-4-yl-1-piperazinyl]-1-oxohexan-2-yl]-N-carbamoyl-3-(1-naphthalenyl)propanamide IUPAC Name: 2-amino-N-[6-amino-1-[2-[2-(3-methoxyphenyl)ethyl]-4-pyridin-4-ylpiperazin-1-yl]-1-oxohexan-2-yl]-N-carbamoyl-3-naphthalen-1-ylpropanamide Traditional Name: 2-amino-N-[5-amino-1-[2-[2-(3-methoxyphenyl)ethyl]-4-(4-pyridyl)piperazine-1-carbonyl]pentyl]-N-carbamoyl-3-(1-naphthyl)propionamide Formula: C38H47N7O4 MolecularWeight: 665.82428

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CCC2CN(CCN2C(=O)C(CCCCN)N(C(=O)C(CC3=CC=CC4=CC=CC=C43)N)C(=O)N)C5=CC=NC=C5

Isomeric SMILES

COC1=CC=CC(=C1)CCC2CN(CCN2C(=O)C(CCCCN)N(C(=O)C(CC3=CC=CC4=CC=CC=C43)N)C(=O)N)C5=CC=NC=C5

InChI

InChI=1S/C38H47N7O4/c1-49-32-12-6-8-27(24-32)15-16-31-26-43(30-17-20-42-21-18-30)22-23-44(31)37(47)35(14-4-5-19-39)45(38(41)48)36(46)34(40)25-29-11-7-10-28-9-2-3-13-33(28)29/h2-3,6-13,17-18,20-21,24,31,34-35H,4-5,14-16,19,22-23,25-26,39-40H2,1H3,(H2,41,48)