[1-(4-chlorophenyl)-3-ethanoyl-6-methyl-[1,2]diazepino[5,4-b]indol-4-yl] ethanoate

Systemtic Name: [1-(4-chlorophenyl)-3-ethanoyl-6-methyl-[1,2]diazepino[5,4-b]indol-4-yl] ethanoate Openeye Name: [3-acetyl-1-(4-chlorophenyl)-6-methyl-diazepino[5,4-b]indol-4-yl] acetate CAS Name: acetic acid [3-acetyl-1-(4-chlorophenyl)-6-methyl-4-diazepino[5,4-b]indolyl] ester IUPAC Name: [3-acetyl-1-(4-chlorophenyl)-6-methyldiazepino[5,4-b]indol-4-yl] acetate Traditional Name: acetic acid [3-acetyl-1-(4-chlorophenyl)-6-methyl-diazepin[5,4-b]indol-4-yl] ester Formula: C22H18ClN3O3 MolecularWeight: 407.84962

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(=CC2=C(C3=CC=CC=C3N2C)C(=N1)C4=CC=C(C=C4)Cl)OC(=O)C

Isomeric SMILES

CC(=O)N1C(=CC2=C(C3=CC=CC=C3N2C)C(=N1)C4=CC=C(C=C4)Cl)OC(=O)C

InChI

InChI=1S/C22H18ClN3O3/c1-13(27)26-20(29-14(2)28)12-19-21(17-6-4-5-7-18(17)25(19)3)22(24-26)15-8-10-16(23)11-9-15/h4-12H,1-3H3