1-(diphenylmethyl)-3-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea

Systemtic Name: 1-(diphenylmethyl)-3-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea Openeye Name: 1-benzhydryl-3-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea CAS Name: 1-(diphenylmethyl)-3-[2-(2-methyl-1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea IUPAC Name: 1-benzhydryl-3-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea Traditional Name: 1-benzhydryl-3-(2-isobutyryl-3,4-dihydro-1H-isoquinolin-7-yl)urea Formula: C27H29N3O2 MolecularWeight: 427.53806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)C(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H29N3O2/c1-19(2)26(31)30-16-15-20-13-14-24(17-23(20)18-30)28-27(32)29-25(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,17,19,25H,15-16,18H2,1-2H3,(H2,28,29,32)