1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-methylpiperidin-1-yl)carbonyl-phenyl]-3-(2-ethoxyphenyl)urea

Systemtic Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-methylpiperidin-1-yl)carbonyl-phenyl]-3-(2-ethoxyphenyl)urea Openeye Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-methylpiperidine-1-carbonyl)phenyl]-3-(2-ethoxyphenyl)urea CAS Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(4-methyl-1-piperidinyl)-oxomethyl]phenyl]-3-(2-ethoxyphenyl)urea IUPAC Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-methylpiperidine-1-carbonyl)phenyl]-3-(2-ethoxyphenyl)urea Traditional Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-methylpiperidine-1-carbonyl)phenyl]-3-o-phenetyl-urea Formula: C31H36N4O3 MolecularWeight: 512.64254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)NC2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)C(=O)N5CCC(CC5)C

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)NC2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)C(=O)N5CCC(CC5)C

InChI

InChI=1S/C31H36N4O3/c1-3-38-29-11-7-6-10-27(29)33-31(37)32-25-12-13-28(35-19-16-23-8-4-5-9-24(23)21-35)26(20-25)30(36)34-17-14-22(2)15-18-34/h4-13,20,22H,3,14-19,21H2,1-2H3,(H2,32,33,37)