4-[(E)-3-[[2-(azepan-1-yl)phenyl]amino]-3-oxidanylidene-prop-1-enyl]-N-cyclopropyl-benzamide

Systemtic Name: 4-[(E)-3-[[2-(azepan-1-yl)phenyl]amino]-3-oxidanylidene-prop-1-enyl]-N-cyclopropyl-benzamide Openeye Name: 4-[(E)-3-[2-(azepan-1-yl)anilino]-3-oxo-prop-1-enyl]-N-cyclopropyl-benzamide CAS Name: 4-[(E)-3-[2-(1-azepanyl)anilino]-3-oxoprop-1-enyl]-N-cyclopropylbenzamide IUPAC Name: 4-[(E)-3-[2-(azepan-1-yl)anilino]-3-oxoprop-1-enyl]-N-cyclopropylbenzamide Traditional Name: 4-[(E)-3-[2-(azepan-1-yl)anilino]-3-keto-prop-1-enyl]-N-cyclopropyl-benzamide Formula: C25H29N3O2 MolecularWeight: 403.51666

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=CC=C2NC(=O)C=CC3=CC=C(C=C3)C(=O)NC4CC4

Isomeric SMILES

C1CCCN(CC1)C2=CC=CC=C2NC(=O)/C=C/C3=CC=C(C=C3)C(=O)NC4CC4

InChI

InChI=1S/C25H29N3O2/c29-24(16-11-19-9-12-20(13-10-19)25(30)26-21-14-15-21)27-22-7-3-4-8-23(22)28-17-5-1-2-6-18-28/h3-4,7-13,16,21H,1-2,5-6,14-15,17-18H2,(H,26,30)(H,27,29)/b16-11+