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

Systemtic Name: 1-[[3-(aminomethyl)phenyl]-phenyl-amino]-3-[3-methyl-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]urea Openeye Name: 1-(N-[3-(aminomethyl)phenyl]anilino)-3-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]urea CAS Name: 1-(N-[3-(aminomethyl)phenyl]anilino)-3-[3-methyl-4-(2-oxo-1-pyrrolidinyl)phenyl]urea IUPAC Name: 1-(N-[3-(aminomethyl)phenyl]anilino)-3-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]urea Traditional Name: 1-(N-[3-(aminomethyl)phenyl]anilino)-3-[4-(2-ketopyrrolidino)-3-methyl-phenyl]urea Formula: C25H27N5O2 MolecularWeight: 429.51418

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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)N4CCCC4=O

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)NN(C2=CC=CC=C2)C3=CC=CC(=C3)CN)N4CCCC4=O

InChI

InChI=1S/C25H27N5O2/c1-18-15-20(12-13-23(18)29-14-6-11-24(29)31)27-25(32)28-30(21-8-3-2-4-9-21)22-10-5-7-19(16-22)17-26/h2-5,7-10,12-13,15-16H,6,11,14,17,26H2,1H3,(H2,27,28,32)