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

Systemtic Name: 4-[(E)-3-[2-(azepan-1-yl)propylamino]-3-oxidanylidene-prop-1-enyl]-N-cyclopropyl-benzamide Openeye Name: 4-[(E)-3-[2-(azepan-1-yl)propylamino]-3-oxo-prop-1-enyl]-N-cyclopropyl-benzamide CAS Name: 4-[(E)-3-[2-(1-azepanyl)propylamino]-3-oxoprop-1-enyl]-N-cyclopropylbenzamide IUPAC Name: 4-[(E)-3-[2-(azepan-1-yl)propylamino]-3-oxoprop-1-enyl]-N-cyclopropylbenzamide Traditional Name: 4-[(E)-3-[2-(azepan-1-yl)propylamino]-3-keto-prop-1-enyl]-N-cyclopropyl-benzamide Formula: C22H31N3O2 MolecularWeight: 369.50044

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C=CC1=CC=C(C=C1)C(=O)NC2CC2)N3CCCCCC3

Isomeric SMILES

CC(CNC(=O)/C=C/C1=CC=C(C=C1)C(=O)NC2CC2)N3CCCCCC3

InChI

InChI=1S/C22H31N3O2/c1-17(25-14-4-2-3-5-15-25)16-23-21(26)13-8-18-6-9-19(10-7-18)22(27)24-20-11-12-20/h6-10,13,17,20H,2-5,11-12,14-16H2,1H3,(H,23,26)(H,24,27)/b13-8+