1-[[3-(aminomethyl)phenyl]-phenyl-amino]-3-[3-methyl-4-(2-oxidanylidenepiperidin-1-yl)phenyl]urea

Systemtic Name: 1-[[3-(aminomethyl)phenyl]-phenyl-amino]-3-[3-methyl-4-(2-oxidanylidenepiperidin-1-yl)phenyl]urea Openeye Name: 1-(N-[3-(aminomethyl)phenyl]anilino)-3-[3-methyl-4-(2-oxo-1-piperidyl)phenyl]urea CAS Name: 1-(N-[3-(aminomethyl)phenyl]anilino)-3-[3-methyl-4-(2-oxo-1-piperidinyl)phenyl]urea IUPAC Name: 1-(N-[3-(aminomethyl)phenyl]anilino)-3-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]urea Traditional Name: 1-(N-[3-(aminomethyl)phenyl]anilino)-3-[4-(2-ketopiperidino)-3-methyl-phenyl]urea Formula: C26H29N5O2 MolecularWeight: 443.54076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)NN(C2=CC=CC=C2)C3=CC=CC(=C3)CN)N4CCCCC4=O

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)NN(C2=CC=CC=C2)C3=CC=CC(=C3)CN)N4CCCCC4=O

InChI

InChI=1S/C26H29N5O2/c1-19-16-21(13-14-24(19)30-15-6-5-12-25(30)32)28-26(33)29-31(22-9-3-2-4-10-22)23-11-7-8-20(17-23)18-27/h2-4,7-11,13-14,16-17H,5-6,12,15,18,27H2,1H3,(H2,28,29,33)