1-[(2R,3S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-1-oxidanylidene-pentan-2-yl]urea

Systemtic Name: 1-[(2R,3S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-1-oxidanylidene-pentan-2-yl]urea Openeye Name: [(1R,2S)-1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-methyl-butyl]urea CAS Name: [(2R,3S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-1-oxopentan-2-yl]urea IUPAC Name: [(2R,3S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-1-oxopentan-2-yl]urea Traditional Name: [(1R,2S)-1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-methyl-butyl]urea Formula: C16H23N3O2 MolecularWeight: 289.37272

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCC2=CC=CC=C2C1)NC(=O)N

Isomeric SMILES

CC[C@H](C)[C@H](C(=O)N1CCC2=CC=CC=C2C1)NC(=O)N

InChI

InChI=1S/C16H23N3O2/c1-3-11(2)14(18-16(17)21)15(20)19-9-8-12-6-4-5-7-13(12)10-19/h4-7,11,14H,3,8-10H2,1-2H3,(H3,17,18,21)/t11-,14+/m0/s1