4-(4-butoxyphenyl)carbonyl-7-chloranyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one

Systemtic Name: 4-(4-butoxyphenyl)carbonyl-7-chloranyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Openeye Name: 4-(4-butoxybenzoyl)-7-chloro-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one CAS Name: 4-[(4-butoxyphenyl)-oxomethyl]-7-chloro-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one IUPAC Name: 4-(4-butoxybenzoyl)-7-chloro-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Traditional Name: 4-(4-butoxybenzoyl)-7-chloro-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Formula: C26H25ClN2O3 MolecularWeight: 448.9413

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N2CC(=O)NC3=C(C2C4=CC=CC=C4)C=C(C=C3)Cl

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N2CC(=O)NC3=C(C2C4=CC=CC=C4)C=C(C=C3)Cl

InChI

InChI=1S/C26H25ClN2O3/c1-2-3-15-32-21-12-9-19(10-13-21)26(31)29-17-24(30)28-23-14-11-20(27)16-22(23)25(29)18-7-5-4-6-8-18/h4-14,16,25H,2-3,15,17H2,1H3,(H,28,30)