6-chloranyl-3-methyl-9-[4-(4-nitrophenyl)butoxy]-1,2,4,5-tetrahydro-3-benzazepine

Systemtic Name: 6-chloranyl-3-methyl-9-[4-(4-nitrophenyl)butoxy]-1,2,4,5-tetrahydro-3-benzazepine Openeye Name: 6-chloro-3-methyl-9-[4-(4-nitrophenyl)butoxy]-1,2,4,5-tetrahydro-3-benzazepine CAS Name: 6-chloro-3-methyl-9-[4-(4-nitrophenyl)butoxy]-1,2,4,5-tetrahydro-3-benzazepine IUPAC Name: 6-chloro-3-methyl-9-[4-(4-nitrophenyl)butoxy]-1,2,4,5-tetrahydro-3-benzazepine Traditional Name: 6-chloro-3-methyl-9-[4-(4-nitrophenyl)butoxy]-1,2,4,5-tetrahydro-3-benzazepine Formula: C21H25ClN2O3 MolecularWeight: 388.8878

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C=CC(=C2CC1)Cl)OCCCCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1CCC2=C(C=CC(=C2CC1)Cl)OCCCCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H25ClN2O3/c1-23-13-11-18-19(12-14-23)21(10-9-20(18)22)27-15-3-2-4-16-5-7-17(8-6-16)24(25)26/h5-10H,2-4,11-15H2,1H3