1,4-diazepan-1-yl-[1-(3-methoxyphenyl)carbonyl-4-[oxolan-2-ylmethyl-(phenylmethyl)amino]pyrrolidin-2-yl]methanone

Systemtic Name: 1,4-diazepan-1-yl-[1-(3-methoxyphenyl)carbonyl-4-[oxolan-2-ylmethyl-(phenylmethyl)amino]pyrrolidin-2-yl]methanone Openeye Name: [4-[benzyl(tetrahydrofuran-2-ylmethyl)amino]-1-(3-methoxybenzoyl)pyrrolidin-2-yl]-(1,4-diazepan-1-yl)methanone CAS Name: 1,4-diazepan-1-yl-[1-[(3-methoxyphenyl)-oxomethyl]-4-[2-oxolanylmethyl-(phenylmethyl)amino]-2-pyrrolidinyl]methanone IUPAC Name: [4-[benzyl(oxolan-2-ylmethyl)amino]-1-(3-methoxybenzoyl)pyrrolidin-2-yl]-(1,4-diazepan-1-yl)methanone Traditional Name: [4-[benzyl(tetrahydrofurfuryl)amino]-1-m-anisoyl-pyrrolidin-2-yl]-(1,4-diazepan-1-yl)methanone Formula: C30H40N4O4 MolecularWeight: 520.663

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CC(CC2C(=O)N3CCCNCC3)N(CC4CCCO4)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CC(CC2C(=O)N3CCCNCC3)N(CC4CCCO4)CC5=CC=CC=C5

InChI

InChI=1S/C30H40N4O4/c1-37-26-11-5-10-24(18-26)29(35)34-21-25(19-28(34)30(36)32-15-7-13-31-14-16-32)33(22-27-12-6-17-38-27)20-23-8-3-2-4-9-23/h2-5,8-11,18,25,27-28,31H,6-7,12-17,19-22H2,1H3