7-chloranyl-4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-methyl-3H-1,5-benzodiazepine

Systemtic Name: 7-chloranyl-4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-methyl-3H-1,5-benzodiazepine Openeye Name: 7-chloro-4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-methyl-3H-1,5-benzodiazepine CAS Name: 7-chloro-4-[4-[(4-methoxyphenyl)methyl]-1-piperazinyl]-2-methyl-3H-1,5-benzodiazepine IUPAC Name: 7-chloro-4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-methyl-3H-1,5-benzodiazepine Traditional Name: 7-chloro-2-methyl-4-(4-p-anisylpiperazino)-3H-1,5-benzodiazepine Formula: C22H25ClN4O MolecularWeight: 396.9131

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)Cl)N=C(C1)N3CCN(CC3)CC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)Cl)N=C(C1)N3CCN(CC3)CC4=CC=C(C=C4)OC

InChI

InChI=1S/C22H25ClN4O/c1-16-13-22(25-21-14-18(23)5-8-20(21)24-16)27-11-9-26(10-12-27)15-17-3-6-19(28-2)7-4-17/h3-8,14H,9-13,15H2,1-2H3