N-[5-(1,4-diazepan-1-ylcarbonyl)-1-pyridin-3-ylcarbonyl-pyrrolidin-3-yl]-4-methoxy-N-phenethyl-benzamide

Systemtic Name: N-[5-(1,4-diazepan-1-ylcarbonyl)-1-pyridin-3-ylcarbonyl-pyrrolidin-3-yl]-4-methoxy-N-phenethyl-benzamide Openeye Name: N-[5-(1,4-diazepane-1-carbonyl)-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-4-methoxy-N-phenethyl-benzamide CAS Name: N-[5-[1,4-diazepan-1-yl(oxo)methyl]-1-[oxo(3-pyridinyl)methyl]-3-pyrrolidinyl]-4-methoxy-N-phenethylbenzamide IUPAC Name: N-[5-(1,4-diazepane-1-carbonyl)-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-4-methoxy-N-phenethylbenzamide Traditional Name: N-[5-(1,4-diazepane-1-carbonyl)-1-nicotinoyl-pyrrolidin-3-yl]-4-methoxy-N-phenethyl-benzamide Formula: C32H37N5O4 MolecularWeight: 555.66728

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N(CCC2=CC=CC=C2)C3CC(N(C3)C(=O)C4=CN=CC=C4)C(=O)N5CCCNCC5

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N(CCC2=CC=CC=C2)C3CC(N(C3)C(=O)C4=CN=CC=C4)C(=O)N5CCCNCC5

InChI

InChI=1S/C32H37N5O4/c1-41-28-12-10-25(11-13-28)30(38)36(19-14-24-7-3-2-4-8-24)27-21-29(32(40)35-18-6-16-33-17-20-35)37(23-27)31(39)26-9-5-15-34-22-26/h2-5,7-13,15,22,27,29,33H,6,14,16-21,23H2,1H3