3-chloranyl-11-[6-(1-phenylethylamino)hexanoyl]-5H-benzo[b][1,4]benzodiazepin-6-one

Systemtic Name: 3-chloranyl-11-[6-(1-phenylethylamino)hexanoyl]-5H-benzo[b][1,4]benzodiazepin-6-one Openeye Name: 3-chloro-11-[6-(1-phenylethylamino)hexanoyl]-5H-benzo[b][1,4]benzodiazepin-6-one CAS Name: 3-chloro-11-[1-oxo-6-(1-phenylethylamino)hexyl]-5H-benzo[b][1,4]benzodiazepin-6-one IUPAC Name: 3-chloro-11-[6-(1-phenylethylamino)hexanoyl]-5H-benzo[b][1,4]benzodiazepin-6-one Traditional Name: 3-chloro-11-[6-(1-phenylethylamino)hexanoyl]-5H-benzo[b][1,4]benzodiazepin-6-one Formula: C27H28ClN3O2 MolecularWeight: 461.98312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NCCCCCC(=O)N2C3=C(C=C(C=C3)Cl)NC(=O)C4=CC=CC=C42

Isomeric SMILES

CC(C1=CC=CC=C1)NCCCCCC(=O)N2C3=C(C=C(C=C3)Cl)NC(=O)C4=CC=CC=C42

InChI

InChI=1S/C27H28ClN3O2/c1-19(20-10-4-2-5-11-20)29-17-9-3-6-14-26(32)31-24-13-8-7-12-22(24)27(33)30-23-18-21(28)15-16-25(23)31/h2,4-5,7-8,10-13,15-16,18-19,29H,3,6,9,14,17H2,1H3,(H,30,33)