prop-2-enyl 4-(3-chloranyl-5H-benzo[b][1,4]benzodiazepin-6-yl)piperazine-1-carboxylate

Systemtic Name: prop-2-enyl 4-(3-chloranyl-5H-benzo[b][1,4]benzodiazepin-6-yl)piperazine-1-carboxylate Openeye Name: allyl 4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)piperazine-1-carboxylate CAS Name: 4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-piperazinecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)piperazine-1-carboxylate Traditional Name: 4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)piperazine-1-carboxylic acid allyl ester Formula: C21H21ClN4O2 MolecularWeight: 396.87004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN4O2/c1-2-13-28-21(27)26-11-9-25(10-12-26)20-16-5-3-4-6-17(16)23-18-8-7-15(22)14-19(18)24-20/h2-8,14,24H,1,9-13H2