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

Systemtic Name: 1,4-diazepan-1-yl-[1-(4-methylphenyl)carbonyl-4-[oxolan-2-ylmethyl-(phenylmethyl)amino]pyrrolidin-2-yl]methanone Openeye Name: [4-[benzyl(tetrahydrofuran-2-ylmethyl)amino]-1-(4-methylbenzoyl)pyrrolidin-2-yl]-(1,4-diazepan-1-yl)methanone CAS Name: 1,4-diazepan-1-yl-[1-[(4-methylphenyl)-oxomethyl]-4-[2-oxolanylmethyl-(phenylmethyl)amino]-2-pyrrolidinyl]methanone IUPAC Name: [4-[benzyl(oxolan-2-ylmethyl)amino]-1-(4-methylbenzoyl)pyrrolidin-2-yl]-(1,4-diazepan-1-yl)methanone Traditional Name: [4-[benzyl(tetrahydrofurfuryl)amino]-1-p-toluoyl-pyrrolidin-2-yl]-(1,4-diazepan-1-yl)methanone Formula: C30H40N4O3 MolecularWeight: 504.6636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CC(CC2C(=O)N3CCCNCC3)N(CC4CCCO4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CC(CC2C(=O)N3CCCNCC3)N(CC4CCCO4)CC5=CC=CC=C5

InChI

InChI=1S/C30H40N4O3/c1-23-10-12-25(13-11-23)29(35)34-21-26(19-28(34)30(36)32-16-6-14-31-15-17-32)33(22-27-9-5-18-37-27)20-24-7-3-2-4-8-24/h2-4,7-8,10-13,26-28,31H,5-6,9,14-22H2,1H3