3-carbamimidoyl-N-[[1-[4-(2-methyl-1-pyrrolidin-1-yl-propan-2-yl)phenyl]-5-oxidanylidene-pyrrolidin-3-yl]methyl]benzamide

Systemtic Name: 3-carbamimidoyl-N-[[1-[4-(2-methyl-1-pyrrolidin-1-yl-propan-2-yl)phenyl]-5-oxidanylidene-pyrrolidin-3-yl]methyl]benzamide Openeye Name: 3-carbamimidoyl-N-[[1-[4-(1,1-dimethyl-2-pyrrolidin-1-yl-ethyl)phenyl]-5-oxo-pyrrolidin-3-yl]methyl]benzamide CAS Name: 3-carbamimidoyl-N-[[1-[4-[2-methyl-1-(1-pyrrolidinyl)propan-2-yl]phenyl]-5-oxo-3-pyrrolidinyl]methyl]benzamide IUPAC Name: 3-carbamimidoyl-N-[[1-[4-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)phenyl]-5-oxopyrrolidin-3-yl]methyl]benzamide Traditional Name: 3-amidino-N-[[1-[4-(1,1-dimethyl-2-pyrrolidino-ethyl)phenyl]-5-keto-pyrrolidin-3-yl]methyl]benzamide Formula: C27H35N5O2 MolecularWeight: 461.5991

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN1CCCC1)C2=CC=C(C=C2)N3CC(CC3=O)CNC(=O)C4=CC=CC(=C4)C(=N)N

Isomeric SMILES

CC(C)(CN1CCCC1)C2=CC=C(C=C2)N3CC(CC3=O)CNC(=O)C4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C27H35N5O2/c1-27(2,18-31-12-3-4-13-31)22-8-10-23(11-9-22)32-17-19(14-24(32)33)16-30-26(34)21-7-5-6-20(15-21)25(28)29/h5-11,15,19H,3-4,12-14,16-18H2,1-2H3,(H3,28,29)(H,30,34)