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

Systemtic Name: 1-[[3-(aminomethyl)phenyl]-phenyl-amino]-3-[4-(3-oxidanylidenepiperazin-1-yl)phenyl]urea Openeye Name: 1-(N-[3-(aminomethyl)phenyl]anilino)-3-[4-(3-oxopiperazin-1-yl)phenyl]urea CAS Name: 1-(N-[3-(aminomethyl)phenyl]anilino)-3-[4-(3-oxo-1-piperazinyl)phenyl]urea IUPAC Name: 1-(N-[3-(aminomethyl)phenyl]anilino)-3-[4-(3-oxopiperazin-1-yl)phenyl]urea Traditional Name: 1-(N-[3-(aminomethyl)phenyl]anilino)-3-[4-(3-ketopiperazino)phenyl]urea Formula: C24H26N6O2 MolecularWeight: 430.50224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=CC=C(C=C2)NC(=O)NN(C3=CC=CC=C3)C4=CC=CC(=C4)CN

Isomeric SMILES

C1CN(CC(=O)N1)C2=CC=C(C=C2)NC(=O)NN(C3=CC=CC=C3)C4=CC=CC(=C4)CN

InChI

InChI=1S/C24H26N6O2/c25-16-18-5-4-8-22(15-18)30(21-6-2-1-3-7-21)28-24(32)27-19-9-11-20(12-10-19)29-14-13-26-23(31)17-29/h1-12,15H,13-14,16-17,25H2,(H,26,31)(H2,27,28,32)