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

Systemtic Name: 1-(4-tert-butylphenyl)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpyrrol-2-yl)ethyl]urea Openeye Name: 1-(4-tert-butylphenyl)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpyrrol-2-yl)ethyl]urea CAS Name: 1-(4-tert-butylphenyl)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methyl-2-pyrrolyl)ethyl]urea IUPAC Name: 1-(4-tert-butylphenyl)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpyrrol-2-yl)ethyl]urea Traditional Name: 1-(4-tert-butylphenyl)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpyrrol-2-yl)ethyl]urea Formula: C27H34N4O MolecularWeight: 430.58506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34N4O/c1-27(2,3)22-11-13-23(14-12-22)29-26(32)28-18-25(24-10-7-16-30(24)4)31-17-15-20-8-5-6-9-21(20)19-31/h5-14,16,25H,15,17-19H2,1-4H3,(H2,28,29,32)