[7-chloranyl-5-(2-hydroxyethyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-(2-methyl-4-nitro-phenyl)methanone

Systemtic Name: [7-chloranyl-5-(2-hydroxyethyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-(2-methyl-4-nitro-phenyl)methanone Openeye Name: [7-chloro-5-(2-hydroxyethyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-(2-methyl-4-nitro-phenyl)methanone CAS Name: [7-chloro-5-(2-hydroxyethyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-(2-methyl-4-nitrophenyl)methanone IUPAC Name: [7-chloro-5-(2-hydroxyethyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-(2-methyl-4-nitrophenyl)methanone Traditional Name: [7-chloro-5-(2-hydroxyethyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-(2-methyl-4-nitro-phenyl)methanone Formula: C20H21ClN2O4 MolecularWeight: 388.84474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)N2CCCC(C3=C2C=CC(=C3)Cl)CCO

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)N2CCCC(C3=C2C=CC(=C3)Cl)CCO

InChI

InChI=1S/C20H21ClN2O4/c1-13-11-16(23(26)27)5-6-17(13)20(25)22-9-2-3-14(8-10-24)18-12-15(21)4-7-19(18)22/h4-7,11-12,14,24H,2-3,8-10H2,1H3