1-chloranyl-11-[2-(1-methylpiperidin-4-ylidene)ethanoyl]-5H-benzo[b][1,4]benzodiazepin-6-one

Systemtic Name: 1-chloranyl-11-[2-(1-methylpiperidin-4-ylidene)ethanoyl]-5H-benzo[b][1,4]benzodiazepin-6-one Openeye Name: 1-chloro-11-[2-(1-methyl-4-piperidylidene)acetyl]-5H-benzo[b][1,4]benzodiazepin-6-one CAS Name: 1-chloro-11-[2-(1-methyl-4-piperidinylidene)-1-oxoethyl]-5H-benzo[b][1,4]benzodiazepin-6-one IUPAC Name: 1-chloro-11-[2-(1-methylpiperidin-4-ylidene)acetyl]-5H-benzo[b][1,4]benzodiazepin-6-one Traditional Name: 1-chloro-11-[2-(1-methyl-4-piperidylidene)acetyl]-5H-benzo[b][1,4]benzodiazepin-6-one Formula: C21H20ClN3O2 MolecularWeight: 381.8554

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(=CC(=O)N2C3=CC=CC=C3C(=O)NC4=C2C(=CC=C4)Cl)CC1

Isomeric SMILES

CN1CCC(=CC(=O)N2C3=CC=CC=C3C(=O)NC4=C2C(=CC=C4)Cl)CC1

InChI

InChI=1S/C21H20ClN3O2/c1-24-11-9-14(10-12-24)13-19(26)25-18-8-3-2-5-15(18)21(27)23-17-7-4-6-16(22)20(17)25/h2-8,13H,9-12H2,1H3,(H,23,27)