3-(cyclopentylmethyl)-N'-[2-oxidanylidene-1-[(3-phenoxyphenyl)methyl]azepan-3-yl]-2-prop-2-enyl-butanediamide

Systemtic Name: 3-(cyclopentylmethyl)-N'-[2-oxidanylidene-1-[(3-phenoxyphenyl)methyl]azepan-3-yl]-2-prop-2-enyl-butanediamide Openeye Name: 2-allyl-3-(cyclopentylmethyl)-N'-[2-oxo-1-[(3-phenoxyphenyl)methyl]azepan-3-yl]butanediamide CAS Name: 3-(cyclopentylmethyl)-N'-[2-oxo-1-[(3-phenoxyphenyl)methyl]-3-azepanyl]-2-prop-2-enylbutanediamide IUPAC Name: 3-(cyclopentylmethyl)-N'-[2-oxo-1-[(3-phenoxyphenyl)methyl]azepan-3-yl]-2-prop-2-enylbutanediamide Traditional Name: 2-allyl-3-(cyclopentylmethyl)-N'-[2-keto-1-(3-phenoxybenzyl)azepan-3-yl]succinamide Formula: C32H41N3O4 MolecularWeight: 531.68564

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(C(CC1CCCC1)C(=O)NC2CCCCN(C2=O)CC3=CC(=CC=C3)OC4=CC=CC=C4)C(=O)N

Isomeric SMILES

C=CCC(C(CC1CCCC1)C(=O)NC2CCCCN(C2=O)CC3=CC(=CC=C3)OC4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C32H41N3O4/c1-2-11-27(30(33)36)28(21-23-12-6-7-13-23)31(37)34-29-18-8-9-19-35(32(29)38)22-24-14-10-17-26(20-24)39-25-15-4-3-5-16-25/h2-5,10,14-17,20,23,27-29H,1,6-9,11-13,18-19,21-22H2,(H2,33,36)(H,34,37)