2-[7-chloranyl-1-[4-(2-methylimidazol-1-yl)butyl]-5-naphthalen-1-yl-2-oxidanylidene-5H-4,1-benzoxazepin-3-yl]ethanenitrile

Systemtic Name: 2-[7-chloranyl-1-[4-(2-methylimidazol-1-yl)butyl]-5-naphthalen-1-yl-2-oxidanylidene-5H-4,1-benzoxazepin-3-yl]ethanenitrile Openeye Name: 2-[7-chloro-1-[4-(2-methylimidazol-1-yl)butyl]-5-(1-naphthyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetonitrile CAS Name: 2-[7-chloro-1-[4-(2-methyl-1-imidazolyl)butyl]-5-(1-naphthalenyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetonitrile IUPAC Name: 2-[7-chloro-1-[4-(2-methylimidazol-1-yl)butyl]-5-naphthalen-1-yl-2-oxo-5H-4,1-benzoxazepin-3-yl]acetonitrile Traditional Name: 2-[7-chloro-2-keto-1-[4-(2-methylimidazol-1-yl)butyl]-5-(1-naphthyl)-5H-4,1-benzoxazepin-3-yl]acetonitrile Formula: C29H27ClN4O2 MolecularWeight: 499.00328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1CCCCN2C3=C(C=C(C=C3)Cl)C(OC(C2=O)CC#N)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC1=NC=CN1CCCCN2C3=C(C=C(C=C3)Cl)C(OC(C2=O)CC#N)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C29H27ClN4O2/c1-20-32-15-18-33(20)16-4-5-17-34-26-12-11-22(30)19-25(26)28(36-27(13-14-31)29(34)35)24-10-6-8-21-7-2-3-9-23(21)24/h2-3,6-12,15,18-19,27-28H,4-5,13,16-17H2,1H3