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

Systemtic Name: 1-(3-methylisoquinolin-5-yl)-3-[(4-pyrrolidin-1-ylphenyl)methyl]urea Openeye Name: 1-(3-methyl-5-isoquinolyl)-3-[(4-pyrrolidin-1-ylphenyl)methyl]urea CAS Name: 1-(3-methyl-5-isoquinolinyl)-3-[[4-(1-pyrrolidinyl)phenyl]methyl]urea IUPAC Name: 1-(3-methylisoquinolin-5-yl)-3-[(4-pyrrolidin-1-ylphenyl)methyl]urea Traditional Name: 1-(3-methyl-5-isoquinolyl)-3-(4-pyrrolidinobenzyl)urea Formula: C22H24N4O MolecularWeight: 360.45216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C2C=CC=C(C2=C1)NC(=O)NCC3=CC=C(C=C3)N4CCCC4

Isomeric SMILES

CC1=NC=C2C=CC=C(C2=C1)NC(=O)NCC3=CC=C(C=C3)N4CCCC4

InChI

InChI=1S/C22H24N4O/c1-16-13-20-18(15-23-16)5-4-6-21(20)25-22(27)24-14-17-7-9-19(10-8-17)26-11-2-3-12-26/h4-10,13,15H,2-3,11-12,14H2,1H3,(H2,24,25,27)