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

Systemtic Name: 2-[7-chloranyl-1-[4-(2-methylimidazol-1-yl)butyl]-5-naphthalen-1-yl-2-oxidanylidene-5H-4,1-benzoxazepin-3-yl]ethanamide Openeye Name: 2-[7-chloro-1-[4-(2-methylimidazol-1-yl)butyl]-5-(1-naphthyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetamide CAS Name: 2-[7-chloro-1-[4-(2-methyl-1-imidazolyl)butyl]-5-(1-naphthalenyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetamide IUPAC Name: 2-[7-chloro-1-[4-(2-methylimidazol-1-yl)butyl]-5-naphthalen-1-yl-2-oxo-5H-4,1-benzoxazepin-3-yl]acetamide Traditional Name: 2-[7-chloro-2-keto-1-[4-(2-methylimidazol-1-yl)butyl]-5-(1-naphthyl)-5H-4,1-benzoxazepin-3-yl]acetamide Formula: C29H29ClN4O3 MolecularWeight: 517.01856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H29ClN4O3/c1-19-32-13-16-33(19)14-4-5-15-34-25-12-11-21(30)17-24(25)28(37-26(29(34)36)18-27(31)35)23-10-6-8-20-7-2-3-9-22(20)23/h2-3,6-13,16-17,26,28H,4-5,14-15,18H2,1H3,(H2,31,35)