1,3-diethyl-4-[5-(3-methylphenyl)-3-[(phenylmethyl)amino]-1H-pyrazol-4-yl]benzimidazol-2-one

Systemtic Name: 1,3-diethyl-4-[5-(3-methylphenyl)-3-[(phenylmethyl)amino]-1H-pyrazol-4-yl]benzimidazol-2-one Openeye Name: 4-[3-(benzylamino)-5-(m-tolyl)-1H-pyrazol-4-yl]-1,3-diethyl-benzimidazol-2-one CAS Name: 1,3-diethyl-4-[5-(3-methylphenyl)-3-[(phenylmethyl)amino]-1H-pyrazol-4-yl]-2-benzimidazolone IUPAC Name: 4-[3-(benzylamino)-5-(3-methylphenyl)-1H-pyrazol-4-yl]-1,3-diethylbenzimidazol-2-one Traditional Name: 4-[3-(benzylamino)-5-(m-tolyl)-1H-pyrazol-4-yl]-1,3-diethyl-benzimidazol-2-one Formula: C28H29N5O MolecularWeight: 451.56276

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC(=C2N(C1=O)CC)C3=C(NN=C3NCC4=CC=CC=C4)C5=CC(=CC=C5)C

Isomeric SMILES

CCN1C2=CC=CC(=C2N(C1=O)CC)C3=C(NN=C3NCC4=CC=CC=C4)C5=CC(=CC=C5)C

InChI

InChI=1S/C28H29N5O/c1-4-32-23-16-10-15-22(26(23)33(5-2)28(32)34)24-25(21-14-9-11-19(3)17-21)30-31-27(24)29-18-20-12-7-6-8-13-20/h6-17H,4-5,18H2,1-3H3,(H2,29,30,31)