5-[(3-chlorophenyl)methyl]-3-phenyl-1-(1-pyrrolidin-1-ylethyl)-1,2,4-triazin-6-one

Systemtic Name: 5-[(3-chlorophenyl)methyl]-3-phenyl-1-(1-pyrrolidin-1-ylethyl)-1,2,4-triazin-6-one Openeye Name: 5-[(3-chlorophenyl)methyl]-3-phenyl-1-(1-pyrrolidin-1-ylethyl)-1,2,4-triazin-6-one CAS Name: 5-[(3-chlorophenyl)methyl]-3-phenyl-1-[1-(1-pyrrolidinyl)ethyl]-1,2,4-triazin-6-one IUPAC Name: 5-[(3-chlorophenyl)methyl]-3-phenyl-1-(1-pyrrolidin-1-ylethyl)-1,2,4-triazin-6-one Traditional Name: 5-(3-chlorobenzyl)-3-phenyl-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)CC4=CC(=CC=C4)Cl

Isomeric SMILES

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

InChI

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