[3-[(5-pyridin-3-ylpyrrolidin-2-yl)methylamino]phenyl]-(3,4,5-trimethoxyphenyl)methanone

Systemtic Name: [3-[(5-pyridin-3-ylpyrrolidin-2-yl)methylamino]phenyl]-(3,4,5-trimethoxyphenyl)methanone Openeye Name: [3-[[5-(3-pyridyl)pyrrolidin-2-yl]methylamino]phenyl]-(3,4,5-trimethoxyphenyl)methanone CAS Name: [3-[[5-(3-pyridinyl)-2-pyrrolidinyl]methylamino]phenyl]-(3,4,5-trimethoxyphenyl)methanone IUPAC Name: [3-[(5-pyridin-3-ylpyrrolidin-2-yl)methylamino]phenyl]-(3,4,5-trimethoxyphenyl)methanone Traditional Name: [3-[[5-(3-pyridyl)pyrrolidin-2-yl]methylamino]phenyl]-(3,4,5-trimethoxyphenyl)methanone Formula: C26H29N3O4 MolecularWeight: 447.52616

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)C2=CC(=CC=C2)NCC3CCC(N3)C4=CN=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)C2=CC(=CC=C2)NCC3CCC(N3)C4=CN=CC=C4

InChI

InChI=1S/C26H29N3O4/c1-31-23-13-19(14-24(32-2)26(23)33-3)25(30)17-6-4-8-20(12-17)28-16-21-9-10-22(29-21)18-7-5-11-27-15-18/h4-8,11-15,21-22,28-29H,9-10,16H2,1-3H3