1-[(3-aminophenyl)methyl]-3-[5-[4-(4-cyanophenyl)piperidin-1-yl]carbonyl-2-methyl-phenyl]urea

Systemtic Name: 1-[(3-aminophenyl)methyl]-3-[5-[4-(4-cyanophenyl)piperidin-1-yl]carbonyl-2-methyl-phenyl]urea Openeye Name: 1-[(3-aminophenyl)methyl]-3-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methyl-phenyl]urea CAS Name: 1-[(3-aminophenyl)methyl]-3-[5-[[4-(4-cyanophenyl)-1-piperidinyl]-oxomethyl]-2-methylphenyl]urea IUPAC Name: 1-[(3-aminophenyl)methyl]-3-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]urea Traditional Name: 1-(3-aminobenzyl)-3-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methyl-phenyl]urea Formula: C28H29N5O2 MolecularWeight: 467.56216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCC(CC2)C3=CC=C(C=C3)C#N)NC(=O)NCC4=CC(=CC=C4)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCC(CC2)C3=CC=C(C=C3)C#N)NC(=O)NCC4=CC(=CC=C4)N

InChI

InChI=1S/C28H29N5O2/c1-19-5-8-24(16-26(19)32-28(35)31-18-21-3-2-4-25(30)15-21)27(34)33-13-11-23(12-14-33)22-9-6-20(17-29)7-10-22/h2-10,15-16,23H,11-14,18,30H2,1H3,(H2,31,32,35)