4-[7-chloranyl-3-[(2-propan-2-ylphenyl)methyl]-1,4-dihydro-1,4-benzodiazepin-5-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[7-chloranyl-3-[(2-propan-2-ylphenyl)methyl]-1,4-dihydro-1,4-benzodiazepin-5-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[7-chloro-3-[(2-isopropylphenyl)methyl]-1,4-dihydro-1,4-benzodiazepin-5-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[7-chloro-3-[(2-propan-2-ylphenyl)methyl]-1,4-dihydro-1,4-benzodiazepin-5-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[7-chloro-3-[(2-propan-2-ylphenyl)methyl]-1,4-dihydro-1,4-benzodiazepin-5-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[7-chloro-3-(2-isopropylbenzyl)-1,4-dihydro-1,4-benzodiazepin-5-ylidene]cyclohexa-2,5-dien-1-one Formula: C25H23ClN2O MolecularWeight: 402.91592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1CC2=CNC3=C(C=C(C=C3)Cl)C(=C4C=CC(=O)C=C4)N2

Isomeric SMILES

CC(C)C1=CC=CC=C1CC2=CNC3=C(C=C(C=C3)Cl)C(=C4C=CC(=O)C=C4)N2

InChI

InChI=1S/C25H23ClN2O/c1-16(2)22-6-4-3-5-18(22)13-20-15-27-24-12-9-19(26)14-23(24)25(28-20)17-7-10-21(29)11-8-17/h3-12,14-16,27-28H,13H2,1-2H3