5-[3-(4-butan-2-ylphenoxy)propyl]-3-methyl-1-(phenylcarbonyl)-2,3-dihydro-1,5-benzodiazepin-4-one

Systemtic Name: 5-[3-(4-butan-2-ylphenoxy)propyl]-3-methyl-1-(phenylcarbonyl)-2,3-dihydro-1,5-benzodiazepin-4-one Openeye Name: 1-benzoyl-3-methyl-5-[3-(4-sec-butylphenoxy)propyl]-2,3-dihydro-1,5-benzodiazepin-4-one CAS Name: 1-benzoyl-5-[3-(4-butan-2-ylphenoxy)propyl]-3-methyl-2,3-dihydro-1,5-benzodiazepin-4-one IUPAC Name: 1-benzoyl-5-[3-(4-butan-2-ylphenoxy)propyl]-3-methyl-2,3-dihydro-1,5-benzodiazepin-4-one Traditional Name: 1-benzoyl-3-methyl-5-[3-(4-sec-butylphenoxy)propyl]-2,3-dihydro-1,5-benzodiazepin-4-one Formula: C30H34N2O3 MolecularWeight: 470.60256

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)OCCCN2C3=CC=CC=C3N(CC(C2=O)C)C(=O)C4=CC=CC=C4

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)OCCCN2C3=CC=CC=C3N(CC(C2=O)C)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C30H34N2O3/c1-4-22(2)24-15-17-26(18-16-24)35-20-10-19-31-27-13-8-9-14-28(27)32(21-23(3)29(31)33)30(34)25-11-6-5-7-12-25/h5-9,11-18,22-23H,4,10,19-21H2,1-3H3