2-[[1-[(3,5-diethoxy-4-pyrrol-1-yl-phenyl)methyl]piperidin-4-yl]amino]-N-pyridin-3-yl-1,3-benzoxazole-4-carboxamide

Systemtic Name: 2-[[1-[(3,5-diethoxy-4-pyrrol-1-yl-phenyl)methyl]piperidin-4-yl]amino]-N-pyridin-3-yl-1,3-benzoxazole-4-carboxamide Openeye Name: 2-[[1-[(3,5-diethoxy-4-pyrrol-1-yl-phenyl)methyl]-4-piperidyl]amino]-N-(3-pyridyl)-1,3-benzoxazole-4-carboxamide CAS Name: 2-[[1-[[3,5-diethoxy-4-(1-pyrrolyl)phenyl]methyl]-4-piperidinyl]amino]-N-(3-pyridinyl)-1,3-benzoxazole-4-carboxamide IUPAC Name: 2-[[1-[(3,5-diethoxy-4-pyrrol-1-ylphenyl)methyl]piperidin-4-yl]amino]-N-pyridin-3-yl-1,3-benzoxazole-4-carboxamide Traditional Name: 2-[[1-(3,5-diethoxy-4-pyrrol-1-yl-benzyl)-4-piperidyl]amino]-N-(3-pyridyl)-1,3-benzoxazole-4-carboxamide Formula: C33H36N6O4 MolecularWeight: 580.67674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1N2C=CC=C2)OCC)CN3CCC(CC3)NC4=NC5=C(C=CC=C5O4)C(=O)NC6=CN=CC=C6

Isomeric SMILES

CCOC1=CC(=CC(=C1N2C=CC=C2)OCC)CN3CCC(CC3)NC4=NC5=C(C=CC=C5O4)C(=O)NC6=CN=CC=C6

InChI

InChI=1S/C33H36N6O4/c1-3-41-28-19-23(20-29(42-4-2)31(28)39-15-5-6-16-39)22-38-17-12-24(13-18-38)36-33-37-30-26(10-7-11-27(30)43-33)32(40)35-25-9-8-14-34-21-25/h5-11,14-16,19-21,24H,3-4,12-13,17-18,22H2,1-2H3,(H,35,40)(H,36,37)