N-[(Z)-3-(azepan-1-yl)-3-oxidanylidene-1-pyridin-3-yl-prop-1-en-2-yl]-3-bromanyl-benzamide

Systemtic Name: N-[(Z)-3-(azepan-1-yl)-3-oxidanylidene-1-pyridin-3-yl-prop-1-en-2-yl]-3-bromanyl-benzamide Openeye Name: N-[(Z)-1-(azepane-1-carbonyl)-2-(3-pyridyl)vinyl]-3-bromo-benzamide CAS Name: N-[(Z)-3-(1-azepanyl)-3-oxo-1-(3-pyridinyl)prop-1-en-2-yl]-3-bromobenzamide IUPAC Name: N-[(Z)-3-(azepan-1-yl)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]-3-bromobenzamide Traditional Name: N-[(Z)-1-(azepane-1-carbonyl)-2-(3-pyridyl)vinyl]-3-bromo-benzamide Formula: C21H22BrN3O2 MolecularWeight: 428.32228

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C(=CC2=CN=CC=C2)NC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

C1CCCN(CC1)C(=O)/C(=C/C2=CN=CC=C2)/NC(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C21H22BrN3O2/c22-18-9-5-8-17(14-18)20(26)24-19(13-16-7-6-10-23-15-16)21(27)25-11-3-1-2-4-12-25/h5-10,13-15H,1-4,11-12H2,(H,24,26)/b19-13-