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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C2=CC=CC=C2N(C1=O)CCCOC3=CC=C(C=C3)C(C)(C)C)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC1CN(C2=CC=CC=C2N(C1=O)CCCOC3=CC=C(C=C3)C(C)(C)C)C(=O)C4=CC=CC=C4

InChI

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