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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)N(C2=CC=CC=C2)NC3=CC=CC(=C3)CN)N4CCCCC4

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)N(C2=CC=CC=C2)NC3=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)31(24-11-4-2-5-12-24)29-23-10-8-9-21(18-23)19-27/h2,4-5,8-14,17-18,29H,3,6-7,15-16,19,27H2,1H3,(H,28,32)