N-[(3R)-3-[4-[(4-methoxyphenyl)methyl-pyridin-3-yl-amino]piperidin-1-yl]butyl]-2,6-dimethyl-4-pyrrolidin-1-ylcarbonyl-benzamide

Systemtic Name: N-[(3R)-3-[4-[(4-methoxyphenyl)methyl-pyridin-3-yl-amino]piperidin-1-yl]butyl]-2,6-dimethyl-4-pyrrolidin-1-ylcarbonyl-benzamide Openeye Name: N-[(3R)-3-[4-[(4-methoxyphenyl)methyl-(3-pyridyl)amino]-1-piperidyl]butyl]-2,6-dimethyl-4-(pyrrolidine-1-carbonyl)benzamide CAS Name: N-[(3R)-3-[4-[(4-methoxyphenyl)methyl-(3-pyridinyl)amino]-1-piperidinyl]butyl]-2,6-dimethyl-4-[oxo(1-pyrrolidinyl)methyl]benzamide IUPAC Name: N-[(3R)-3-[4-[(4-methoxyphenyl)methyl-pyridin-3-ylamino]piperidin-1-yl]butyl]-2,6-dimethyl-4-(pyrrolidine-1-carbonyl)benzamide Traditional Name: 2,6-dimethyl-N-[(3R)-3-[4-[p-anisyl(3-pyridyl)amino]piperidino]butyl]-4-(pyrrolidine-1-carbonyl)benzamide Formula: C36H47N5O3 MolecularWeight: 597.79008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C(=O)NCCC(C)N2CCC(CC2)N(CC3=CC=C(C=C3)OC)C4=CN=CC=C4)C)C(=O)N5CCCC5

Isomeric SMILES

CC1=CC(=CC(=C1C(=O)NCC[C@@H](C)N2CCC(CC2)N(CC3=CC=C(C=C3)OC)C4=CN=CC=C4)C)C(=O)N5CCCC5

InChI

InChI=1S/C36H47N5O3/c1-26-22-30(36(43)40-18-5-6-19-40)23-27(2)34(26)35(42)38-17-13-28(3)39-20-14-31(15-21-39)41(32-8-7-16-37-24-32)25-29-9-11-33(44-4)12-10-29/h7-12,16,22-24,28,31H,5-6,13-15,17-21,25H2,1-4H3,(H,38,42)/t28-/m1/s1