1-(3-cyanophenyl)-3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-piperidin-1-ylcarbonyl-phenyl]urea

Systemtic Name: 1-(3-cyanophenyl)-3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-piperidin-1-ylcarbonyl-phenyl]urea Openeye Name: 1-(3-cyanophenyl)-3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(piperidine-1-carbonyl)phenyl]urea CAS Name: 1-(3-cyanophenyl)-3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[oxo(1-piperidinyl)methyl]phenyl]urea IUPAC Name: 1-(3-cyanophenyl)-3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(piperidine-1-carbonyl)phenyl]urea Traditional Name: 1-(3-cyanophenyl)-3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(piperidine-1-carbonyl)phenyl]urea Formula: C29H29N5O2 MolecularWeight: 479.57286

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=C(C=CC(=C2)NC(=O)NC3=CC=CC(=C3)C#N)N4CCC5=CC=CC=C5C4

Isomeric SMILES

C1CCN(CC1)C(=O)C2=C(C=CC(=C2)NC(=O)NC3=CC=CC(=C3)C#N)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C29H29N5O2/c30-19-21-7-6-10-24(17-21)31-29(36)32-25-11-12-27(26(18-25)28(35)33-14-4-1-5-15-33)34-16-13-22-8-2-3-9-23(22)20-34/h2-3,6-12,17-18H,1,4-5,13-16,20H2,(H2,31,32,36)