3-chloranyl-6-[4-(5-methyl-2-phenyl-quinazolin-4-yl)piperazin-1-yl]benzo[b][1,4]benzoxazepine

Systemtic Name: 3-chloranyl-6-[4-(5-methyl-2-phenyl-quinazolin-4-yl)piperazin-1-yl]benzo[b][1,4]benzoxazepine Openeye Name: 3-chloro-6-[4-(5-methyl-2-phenyl-quinazolin-4-yl)piperazin-1-yl]benzo[b][1,4]benzoxazepine CAS Name: 3-chloro-6-[4-(5-methyl-2-phenyl-4-quinazolinyl)-1-piperazinyl]benzo[b][1,4]benzoxazepine IUPAC Name: 3-chloro-6-[4-(5-methyl-2-phenylquinazolin-4-yl)piperazin-1-yl]benzo[b][1,4]benzoxazepine Traditional Name: 3-chloro-6-[4-(5-methyl-2-phenyl-quinazolin-4-yl)piperazino]benzo[b][1,4]benzoxazepine Formula: C32H26ClN5O MolecularWeight: 532.03474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(N=C2N3CCN(CC3)C4=NC5=C(C=CC(=C5)Cl)OC6=CC=CC=C64)C7=CC=CC=C7

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N=C2N3CCN(CC3)C4=NC5=C(C=CC(=C5)Cl)OC6=CC=CC=C64)C7=CC=CC=C7

InChI

InChI=1S/C32H26ClN5O/c1-21-8-7-12-25-29(21)32(36-30(34-25)22-9-3-2-4-10-22)38-18-16-37(17-19-38)31-24-11-5-6-13-27(24)39-28-15-14-23(33)20-26(28)35-31/h2-15,20H,16-19H2,1H3