N-[1-[(3,5-diethoxy-4-pyrrol-1-yl-phenyl)methyl]piperidin-4-yl]-5-pyridin-3-yl-pyrimidin-2-amine

Systemtic Name: N-[1-[(3,5-diethoxy-4-pyrrol-1-yl-phenyl)methyl]piperidin-4-yl]-5-pyridin-3-yl-pyrimidin-2-amine Openeye Name: N-[1-[(3,5-diethoxy-4-pyrrol-1-yl-phenyl)methyl]-4-piperidyl]-5-(3-pyridyl)pyrimidin-2-amine CAS Name: N-[1-[[3,5-diethoxy-4-(1-pyrrolyl)phenyl]methyl]-4-piperidinyl]-5-(3-pyridinyl)-2-pyrimidinamine IUPAC Name: N-[1-[(3,5-diethoxy-4-pyrrol-1-ylphenyl)methyl]piperidin-4-yl]-5-pyridin-3-ylpyrimidin-2-amine Traditional Name: [1-(3,5-diethoxy-4-pyrrol-1-yl-benzyl)-4-piperidyl]-[5-(3-pyridyl)pyrimidin-2-yl]amine Formula: C29H34N6O2 MolecularWeight: 498.61926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1N2C=CC=C2)OCC)CN3CCC(CC3)NC4=NC=C(C=N4)C5=CN=CC=C5

Isomeric SMILES

CCOC1=CC(=CC(=C1N2C=CC=C2)OCC)CN3CCC(CC3)NC4=NC=C(C=N4)C5=CN=CC=C5

InChI

InChI=1S/C29H34N6O2/c1-3-36-26-16-22(17-27(37-4-2)28(26)35-12-5-6-13-35)21-34-14-9-25(10-15-34)33-29-31-19-24(20-32-29)23-8-7-11-30-18-23/h5-8,11-13,16-20,25H,3-4,9-10,14-15,21H2,1-2H3,(H,31,32,33)