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

Systemtic Name: dodecyl 4-(3-chloranyl-5H-benzo[b][1,4]benzodiazepin-6-yl)piperazine-1-carboxylate Openeye Name: dodecyl 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 dodecyl ester IUPAC Name: dodecyl 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 lauryl ester Formula: C30H41ClN4O2 MolecularWeight: 525.12514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H41ClN4O2/c1-2-3-4-5-6-7-8-9-10-13-22-37-30(36)35-20-18-34(19-21-35)29-25-14-11-12-15-26(25)32-27-17-16-24(31)23-28(27)33-29/h11-12,14-17,23,33H,2-10,13,18-22H2,1H3