3-methyl-5-(4-phenoxybutyl)-1-(phenylcarbonyl)-2,3-dihydro-1,5-benzodiazepin-4-one

Systemtic Name: 3-methyl-5-(4-phenoxybutyl)-1-(phenylcarbonyl)-2,3-dihydro-1,5-benzodiazepin-4-one Openeye Name: 1-benzoyl-3-methyl-5-(4-phenoxybutyl)-2,3-dihydro-1,5-benzodiazepin-4-one CAS Name: 1-benzoyl-3-methyl-5-(4-phenoxybutyl)-2,3-dihydro-1,5-benzodiazepin-4-one IUPAC Name: 1-benzoyl-3-methyl-5-(4-phenoxybutyl)-2,3-dihydro-1,5-benzodiazepin-4-one Traditional Name: 1-benzoyl-3-methyl-5-(4-phenoxybutyl)-2,3-dihydro-1,5-benzodiazepin-4-one Formula: C27H28N2O3 MolecularWeight: 428.52282

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C2=CC=CC=C2N(C1=O)CCCCOC3=CC=CC=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC1CN(C2=CC=CC=C2N(C1=O)CCCCOC3=CC=CC=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H28N2O3/c1-21-20-29(27(31)22-12-4-2-5-13-22)25-17-9-8-16-24(25)28(26(21)30)18-10-11-19-32-23-14-6-3-7-15-23/h2-9,12-17,21H,10-11,18-20H2,1H3