1-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]-3-(3-methylisoquinolin-5-yl)urea

Systemtic Name: 1-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]-3-(3-methylisoquinolin-5-yl)urea Openeye Name: 1-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]-3-(3-methyl-5-isoquinolyl)urea CAS Name: 1-[1-[(4-chlorophenyl)methyl]-3-pyrrolidinyl]-3-(3-methyl-5-isoquinolinyl)urea IUPAC Name: 1-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]-3-(3-methylisoquinolin-5-yl)urea Traditional Name: 1-[1-(4-chlorobenzyl)pyrrolidin-3-yl]-3-(3-methyl-5-isoquinolyl)urea Formula: C22H23ClN4O MolecularWeight: 394.89722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C2C=CC=C(C2=C1)NC(=O)NC3CCN(C3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=NC=C2C=CC=C(C2=C1)NC(=O)NC3CCN(C3)CC4=CC=C(C=C4)Cl

InChI

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