N-[(Z)-[4-(azepan-1-yl)phenyl]methylideneamino]-2-(benzotriazol-1-yl)ethanamide

Systemtic Name: N-[(Z)-[4-(azepan-1-yl)phenyl]methylideneamino]-2-(benzotriazol-1-yl)ethanamide Openeye Name: N-[(Z)-[4-(azepan-1-yl)phenyl]methyleneamino]-2-(benzotriazol-1-yl)acetamide CAS Name: N-[(Z)-[4-(1-azepanyl)phenyl]methylideneamino]-2-(1-benzotriazolyl)acetamide IUPAC Name: N-[(Z)-[4-(azepan-1-yl)phenyl]methylideneamino]-2-(benzotriazol-1-yl)acetamide Traditional Name: N-[(Z)-[4-(azepan-1-yl)benzylidene]amino]-2-(benzotriazol-1-yl)acetamide Formula: C21H24N6O MolecularWeight: 376.45486

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)C=NNC(=O)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)/C=N\NC(=O)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C21H24N6O/c28-21(16-27-20-8-4-3-7-19(20)23-25-27)24-22-15-17-9-11-18(12-10-17)26-13-5-1-2-6-14-26/h3-4,7-12,15H,1-2,5-6,13-14,16H2,(H,24,28)/b22-15-