5-(1,5-dimethyl-2-oxidanylidene-5-phenyl-4,1-benzoxazepin-7-yl)-1-methyl-pyrrole-2-carbonitrile

Systemtic Name: 5-(1,5-dimethyl-2-oxidanylidene-5-phenyl-4,1-benzoxazepin-7-yl)-1-methyl-pyrrole-2-carbonitrile Openeye Name: 5-(1,5-dimethyl-2-oxo-5-phenyl-4,1-benzoxazepin-7-yl)-1-methyl-pyrrole-2-carbonitrile CAS Name: 5-(1,5-dimethyl-2-oxo-5-phenyl-4,1-benzoxazepin-7-yl)-1-methyl-2-pyrrolecarbonitrile IUPAC Name: 5-(1,5-dimethyl-2-oxo-5-phenyl-4,1-benzoxazepin-7-yl)-1-methylpyrrole-2-carbonitrile Traditional Name: 5-(2-keto-1,5-dimethyl-5-phenyl-4,1-benzoxazepin-7-yl)-1-methyl-pyrrole-2-carbonitrile Formula: C23H21N3O2 MolecularWeight: 371.43174

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)C3=CC=C(N3C)C#N)N(C(=O)CO1)C)C4=CC=CC=C4

Isomeric SMILES

CC1(C2=C(C=CC(=C2)C3=CC=C(N3C)C#N)N(C(=O)CO1)C)C4=CC=CC=C4

InChI

InChI=1S/C23H21N3O2/c1-23(17-7-5-4-6-8-17)19-13-16(20-12-10-18(14-24)25(20)2)9-11-21(19)26(3)22(27)15-28-23/h4-13H,15H2,1-3H3