3-(3-chlorophenyl)-5-(phenylmethyl)-1-(1-pyrrolidin-1-ylethyl)-1,2,4-triazin-6-one

Systemtic Name: 3-(3-chlorophenyl)-5-(phenylmethyl)-1-(1-pyrrolidin-1-ylethyl)-1,2,4-triazin-6-one Openeye Name: 5-benzyl-3-(3-chlorophenyl)-1-(1-pyrrolidin-1-ylethyl)-1,2,4-triazin-6-one CAS Name: 3-(3-chlorophenyl)-5-(phenylmethyl)-1-[1-(1-pyrrolidinyl)ethyl]-1,2,4-triazin-6-one IUPAC Name: 5-benzyl-3-(3-chlorophenyl)-1-(1-pyrrolidin-1-ylethyl)-1,2,4-triazin-6-one Traditional Name: 5-benzyl-3-(3-chlorophenyl)-1-(1-pyrrolidinoethyl)-1,2,4-triazin-6-one Formula: C22H23ClN4O MolecularWeight: 394.89722

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Descriptors Computed from Structure

Canonical SMILES:

CC(N1CCCC1)N2C(=O)C(=NC(=N2)C3=CC(=CC=C3)Cl)CC4=CC=CC=C4

Isomeric SMILES

CC(N1CCCC1)N2C(=O)C(=NC(=N2)C3=CC(=CC=C3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C22H23ClN4O/c1-16(26-12-5-6-13-26)27-22(28)20(14-17-8-3-2-4-9-17)24-21(25-27)18-10-7-11-19(23)15-18/h2-4,7-11,15-16H,5-6,12-14H2,1H3