N-(3-azanylpropyl)-N-[[3-[3-(cyclohexylcarbonylamino)-4-pyrrolidin-1-yl-phenyl]phenyl]methyl]pyridine-3-carboxamide

Systemtic Name: N-(3-azanylpropyl)-N-[[3-[3-(cyclohexylcarbonylamino)-4-pyrrolidin-1-yl-phenyl]phenyl]methyl]pyridine-3-carboxamide Openeye Name: N-(3-aminopropyl)-N-[[3-[3-(cyclohexanecarbonylamino)-4-pyrrolidin-1-yl-phenyl]phenyl]methyl]pyridine-3-carboxamide CAS Name: N-(3-aminopropyl)-N-[[3-[3-[[cyclohexyl(oxo)methyl]amino]-4-(1-pyrrolidinyl)phenyl]phenyl]methyl]-3-pyridinecarboxamide IUPAC Name: N-(3-aminopropyl)-N-[[3-[3-(cyclohexanecarbonylamino)-4-pyrrolidin-1-ylphenyl]phenyl]methyl]pyridine-3-carboxamide Traditional Name: N-(3-aminopropyl)-N-[3-[3-(cyclohexanecarbonylamino)-4-pyrrolidino-phenyl]benzyl]nicotinamide Formula: C33H41N5O2 MolecularWeight: 539.71094

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=C(C=CC(=C2)C3=CC(=CC=C3)CN(CCCN)C(=O)C4=CN=CC=C4)N5CCCC5

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=C(C=CC(=C2)C3=CC(=CC=C3)CN(CCCN)C(=O)C4=CN=CC=C4)N5CCCC5

InChI

InChI=1S/C33H41N5O2/c34-16-8-20-38(33(40)29-13-7-17-35-23-29)24-25-9-6-12-27(21-25)28-14-15-31(37-18-4-5-19-37)30(22-28)36-32(39)26-10-2-1-3-11-26/h6-7,9,12-15,17,21-23,26H,1-5,8,10-11,16,18-20,24,34H2,(H,36,39)