1-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-1-pentyl-3-(phenylmethyl)urea

Systemtic Name: 1-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-1-pentyl-3-(phenylmethyl)urea Openeye Name: 3-benzyl-1-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-1-pentyl-urea CAS Name: 1-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-pentyl-3-(phenylmethyl)urea IUPAC Name: 3-benzyl-1-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-pentylurea Traditional Name: 1-amyl-3-benzyl-1-[2-keto-2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]urea Formula: C25H33N3O2 MolecularWeight: 407.54842

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC(=O)N1CCC2=CC=CC=C2C1C)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CCCCCN(CC(=O)N1CCC2=CC=CC=C2C1C)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C25H33N3O2/c1-3-4-10-16-27(25(30)26-18-21-11-6-5-7-12-21)19-24(29)28-17-15-22-13-8-9-14-23(22)20(28)2/h5-9,11-14,20H,3-4,10,15-19H2,1-2H3,(H,26,30)