1,4-diazepan-1-yl-[4-[(3-methoxyphenyl)methyl-(phenylmethyl)amino]-1-pyridin-3-ylcarbonyl-pyrrolidin-2-yl]methanone

Systemtic Name: 1,4-diazepan-1-yl-[4-[(3-methoxyphenyl)methyl-(phenylmethyl)amino]-1-pyridin-3-ylcarbonyl-pyrrolidin-2-yl]methanone Openeye Name: [4-[benzyl-[(3-methoxyphenyl)methyl]amino]-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-(1,4-diazepan-1-yl)methanone CAS Name: 1,4-diazepan-1-yl-[4-[(3-methoxyphenyl)methyl-(phenylmethyl)amino]-1-[oxo(3-pyridinyl)methyl]-2-pyrrolidinyl]methanone IUPAC Name: [4-[benzyl-[(3-methoxyphenyl)methyl]amino]-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-(1,4-diazepan-1-yl)methanone Traditional Name: [4-[benzyl(m-anisyl)amino]-1-nicotinoyl-pyrrolidin-2-yl]-(1,4-diazepan-1-yl)methanone Formula: C31H37N5O3 MolecularWeight: 527.65718

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN(CC2=CC=CC=C2)C3CC(N(C3)C(=O)C4=CN=CC=C4)C(=O)N5CCCNCC5

Isomeric SMILES

COC1=CC=CC(=C1)CN(CC2=CC=CC=C2)C3CC(N(C3)C(=O)C4=CN=CC=C4)C(=O)N5CCCNCC5

InChI

InChI=1S/C31H37N5O3/c1-39-28-12-5-10-25(18-28)22-35(21-24-8-3-2-4-9-24)27-19-29(31(38)34-16-7-14-32-15-17-34)36(23-27)30(37)26-11-6-13-33-20-26/h2-6,8-13,18,20,27,29,32H,7,14-17,19,21-23H2,1H3