1-methyl-5-(2-oxidanylidene-5-propyl-5-thiophen-2-yl-1H-4,1-benzoxazepin-7-yl)pyrrole-2-carbonitrile

Systemtic Name: 1-methyl-5-(2-oxidanylidene-5-propyl-5-thiophen-2-yl-1H-4,1-benzoxazepin-7-yl)pyrrole-2-carbonitrile Openeye Name: 1-methyl-5-[2-oxo-5-propyl-5-(2-thienyl)-1H-4,1-benzoxazepin-7-yl]pyrrole-2-carbonitrile CAS Name: 1-methyl-5-(2-oxo-5-propyl-5-thiophen-2-yl-1H-4,1-benzoxazepin-7-yl)-2-pyrrolecarbonitrile IUPAC Name: 1-methyl-5-(2-oxo-5-propyl-5-thiophen-2-yl-1H-4,1-benzoxazepin-7-yl)pyrrole-2-carbonitrile Traditional Name: 5-[2-keto-5-propyl-5-(2-thienyl)-1H-4,1-benzoxazepin-7-yl]-1-methyl-pyrrole-2-carbonitrile Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C2=C(C=CC(=C2)C3=CC=C(N3C)C#N)NC(=O)CO1)C4=CC=CS4

Isomeric SMILES

CCCC1(C2=C(C=CC(=C2)C3=CC=C(N3C)C#N)NC(=O)CO1)C4=CC=CS4

InChI

InChI=1S/C22H21N3O2S/c1-3-10-22(20-5-4-11-28-20)17-12-15(19-9-7-16(13-23)25(19)2)6-8-18(17)24-21(26)14-27-22/h4-9,11-12H,3,10,14H2,1-2H3,(H,24,26)