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

Systemtic Name: 1-[[3-(aminomethyl)phenyl]-phenyl-amino]-3-(3-chloranyl-4-piperidin-1-yl-phenyl)urea Openeye Name: 1-(N-[3-(aminomethyl)phenyl]anilino)-3-[3-chloro-4-(1-piperidyl)phenyl]urea CAS Name: 1-(N-[3-(aminomethyl)phenyl]anilino)-3-[3-chloro-4-(1-piperidinyl)phenyl]urea IUPAC Name: 1-(N-[3-(aminomethyl)phenyl]anilino)-3-(3-chloro-4-piperidin-1-ylphenyl)urea Traditional Name: 1-(N-[3-(aminomethyl)phenyl]anilino)-3-(3-chloro-4-piperidino-phenyl)urea Formula: C25H28ClN5O MolecularWeight: 449.97572

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)NC(=O)NN(C3=CC=CC=C3)C4=CC=CC(=C4)CN)Cl

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)NC(=O)NN(C3=CC=CC=C3)C4=CC=CC(=C4)CN)Cl

InChI

InChI=1S/C25H28ClN5O/c26-23-17-20(12-13-24(23)30-14-5-2-6-15-30)28-25(32)29-31(21-9-3-1-4-10-21)22-11-7-8-19(16-22)18-27/h1,3-4,7-13,16-17H,2,5-6,14-15,18,27H2,(H2,28,29,32)