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

Systemtic Name: 1-[[3-(aminomethyl)phenyl]-phenyl-amino]-3-(3-methyl-4-piperidin-1-yl-phenyl)urea Openeye Name: 1-(N-[3-(aminomethyl)phenyl]anilino)-3-[3-methyl-4-(1-piperidyl)phenyl]urea CAS Name: 1-(N-[3-(aminomethyl)phenyl]anilino)-3-[3-methyl-4-(1-piperidinyl)phenyl]urea IUPAC Name: 1-(N-[3-(aminomethyl)phenyl]anilino)-3-(3-methyl-4-piperidin-1-ylphenyl)urea Traditional Name: 1-(N-[3-(aminomethyl)phenyl]anilino)-3-(3-methyl-4-piperidino-phenyl)urea Formula: C26H31N5O MolecularWeight: 429.55724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31N5O/c1-20-17-22(13-14-25(20)30-15-6-3-7-16-30)28-26(32)29-31(23-10-4-2-5-11-23)24-12-8-9-21(18-24)19-27/h2,4-5,8-14,17-18H,3,6-7,15-16,19,27H2,1H3,(H2,28,29,32)