5-[2-[(3-ethynylphenyl)amino]ethanoyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one

Systemtic Name: 5-[2-[(3-ethynylphenyl)amino]ethanoyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one Openeye Name: 5-[2-(3-ethynylanilino)acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one CAS Name: 5-[2-(3-ethynylanilino)-1-oxoethyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one IUPAC Name: 5-[2-(3-ethynylanilino)acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one Traditional Name: 5-[2-(3-ethynylanilino)acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one Formula: C20H19N3O2 MolecularWeight: 333.38376

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=CC=CC=C2N1C(=O)CNC3=CC=CC(=C3)C#C

Isomeric SMILES

CC1CC(=O)NC2=CC=CC=C2N1C(=O)CNC3=CC=CC(=C3)C#C

InChI

InChI=1S/C20H19N3O2/c1-3-15-7-6-8-16(12-15)21-13-20(25)23-14(2)11-19(24)22-17-9-4-5-10-18(17)23/h1,4-10,12,14,21H,11,13H2,2H3,(H,22,24)