1-(1-carbamimidoylpiperidin-4-yl)-N-(3,3-diphenylpropanoyl)-N-methyl-pyrrolidine-2-carboxamide

Systemtic Name: 1-(1-carbamimidoylpiperidin-4-yl)-N-(3,3-diphenylpropanoyl)-N-methyl-pyrrolidine-2-carboxamide Openeye Name: 1-(1-carbamimidoyl-4-piperidyl)-N-(3,3-diphenylpropanoyl)-N-methyl-pyrrolidine-2-carboxamide CAS Name: 1-(1-carbamimidoyl-4-piperidinyl)-N-methyl-N-(1-oxo-3,3-diphenylpropyl)-2-pyrrolidinecarboxamide IUPAC Name: 1-(1-carbamimidoylpiperidin-4-yl)-N-(3,3-diphenylpropanoyl)-N-methylpyrrolidine-2-carboxamide Traditional Name: 1-(1-amidino-4-piperidyl)-N-(3,3-diphenylpropanoyl)-N-methyl-pyrrolidine-2-carboxamide Formula: C27H35N5O2 MolecularWeight: 461.5991

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)CC(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)C3CCCN3C4CCN(CC4)C(=N)N

Isomeric SMILES

CN(C(=O)CC(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)C3CCCN3C4CCN(CC4)C(=N)N

InChI

InChI=1S/C27H35N5O2/c1-30(25(33)19-23(20-9-4-2-5-10-20)21-11-6-3-7-12-21)26(34)24-13-8-16-32(24)22-14-17-31(18-15-22)27(28)29/h2-7,9-12,22-24H,8,13-19H2,1H3,(H3,28,29)