5-[(7-chloranyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)carbonyl]-4-oxidanylidene-1-(phenylmethyl)-N-prop-2-enyl-pyridine-3-carboxamide

Systemtic Name: 5-[(7-chloranyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)carbonyl]-4-oxidanylidene-1-(phenylmethyl)-N-prop-2-enyl-pyridine-3-carboxamide Openeye Name: N-allyl-1-benzyl-5-(7-chloro-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl)-4-oxo-pyridine-3-carboxamide CAS Name: 5-[(7-chloro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-oxomethyl]-4-oxo-1-(phenylmethyl)-N-prop-2-enyl-3-pyridinecarboxamide IUPAC Name: 1-benzyl-5-(7-chloro-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl)-4-oxo-N-prop-2-enylpyridine-3-carboxamide Traditional Name: N-allyl-1-benzyl-5-(7-chloro-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl)-4-keto-nicotinamide Formula: C26H24ClN3O4 MolecularWeight: 477.93946

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C1=CN(C=C(C1=O)C(=O)N2CCOC3=C(C2)C=C(C=C3)Cl)CC4=CC=CC=C4

Isomeric SMILES

C=CCNC(=O)C1=CN(C=C(C1=O)C(=O)N2CCOC3=C(C2)C=C(C=C3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C26H24ClN3O4/c1-2-10-28-25(32)21-16-29(14-18-6-4-3-5-7-18)17-22(24(21)31)26(33)30-11-12-34-23-9-8-20(27)13-19(23)15-30/h2-9,13,16-17H,1,10-12,14-15H2,(H,28,32)