1-[4-(3-chloranyl-5H-benzo[b][1,4]benzodiazepin-6-yl)piperazin-1-yl]propan-1-one

Systemtic Name: 1-[4-(3-chloranyl-5H-benzo[b][1,4]benzodiazepin-6-yl)piperazin-1-yl]propan-1-one Openeye Name: 1-[4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)piperazin-1-yl]propan-1-one CAS Name: 1-[4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-piperazinyl]-1-propanone IUPAC Name: 1-[4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)piperazin-1-yl]propan-1-one Traditional Name: 1-[4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)piperazino]propan-1-one Formula: C20H21ClN4O MolecularWeight: 368.85994

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=C3C=CC=CC3=NC4=C(N2)C=C(C=C4)Cl

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=C3C=CC=CC3=NC4=C(N2)C=C(C=C4)Cl

InChI

InChI=1S/C20H21ClN4O/c1-2-19(26)24-9-11-25(12-10-24)20-15-5-3-4-6-16(15)22-17-8-7-14(21)13-18(17)23-20/h3-8,13,23H,2,9-12H2,1H3