(3S)-1-ethyl-5-(3-methoxyphenyl)-3-(2-methylpropyl)-3H-1,4-benzodiazepin-2-one

Systemtic Name: (3S)-1-ethyl-5-(3-methoxyphenyl)-3-(2-methylpropyl)-3H-1,4-benzodiazepin-2-one Openeye Name: (3S)-1-ethyl-3-isobutyl-5-(3-methoxyphenyl)-3H-1,4-benzodiazepin-2-one CAS Name: (3S)-1-ethyl-5-(3-methoxyphenyl)-3-(2-methylpropyl)-3H-1,4-benzodiazepin-2-one IUPAC Name: (3S)-1-ethyl-5-(3-methoxyphenyl)-3-(2-methylpropyl)-3H-1,4-benzodiazepin-2-one Traditional Name: (3S)-1-ethyl-3-isobutyl-5-(3-methoxyphenyl)-3H-1,4-benzodiazepin-2-one Formula: C22H26N2O2 MolecularWeight: 350.45404

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2C(=NC(C1=O)CC(C)C)C3=CC(=CC=C3)OC

Isomeric SMILES

CCN1C2=CC=CC=C2C(=N[C@H](C1=O)CC(C)C)C3=CC(=CC=C3)OC

InChI

InChI=1S/C22H26N2O2/c1-5-24-20-12-7-6-11-18(20)21(16-9-8-10-17(14-16)26-4)23-19(22(24)25)13-15(2)3/h6-12,14-15,19H,5,13H2,1-4H3/t19-/m0/s1