1-(4-butoxyphenyl)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpyrrol-2-yl)ethyl]urea

Systemtic Name: 1-(4-butoxyphenyl)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpyrrol-2-yl)ethyl]urea Openeye Name: 1-(4-butoxyphenyl)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpyrrol-2-yl)ethyl]urea CAS Name: 1-(4-butoxyphenyl)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methyl-2-pyrrolyl)ethyl]urea IUPAC Name: 1-(4-butoxyphenyl)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpyrrol-2-yl)ethyl]urea Traditional Name: 1-(4-butoxyphenyl)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpyrrol-2-yl)ethyl]urea Formula: C27H34N4O2 MolecularWeight: 446.58446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)NCC(C2=CC=CN2C)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)NCC(C2=CC=CN2C)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C27H34N4O2/c1-3-4-18-33-24-13-11-23(12-14-24)29-27(32)28-19-26(25-10-7-16-30(25)2)31-17-15-21-8-5-6-9-22(21)20-31/h5-14,16,26H,3-4,15,17-20H2,1-2H3,(H2,28,29,32)