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

Systemtic Name: 1-(3-methylbutyl)-1-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-3-(phenylmethyl)urea Openeye Name: 3-benzyl-1-isopentyl-1-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]urea CAS Name: 1-(3-methylbutyl)-1-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-(phenylmethyl)urea IUPAC Name: 3-benzyl-1-(3-methylbutyl)-1-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]urea Traditional Name: 3-benzyl-1-isoamyl-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:

CC1C2=CC=CC=C2CCN1C(=O)CN(CCC(C)C)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1C2=CC=CC=C2CCN1C(=O)CN(CCC(C)C)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C25H33N3O2/c1-19(2)13-15-27(25(30)26-17-21-9-5-4-6-10-21)18-24(29)28-16-14-22-11-7-8-12-23(22)20(28)3/h4-12,19-20H,13-18H2,1-3H3,(H,26,30)