[1-(2-azanylethyl)-3-methoxy-5-(3-methoxyphenyl)carbonyl-4-pyrimidin-5-yl-cyclohexa-2,4-dien-1-yl]-piperidin-3-yl-methanone

Systemtic Name: [1-(2-azanylethyl)-3-methoxy-5-(3-methoxyphenyl)carbonyl-4-pyrimidin-5-yl-cyclohexa-2,4-dien-1-yl]-piperidin-3-yl-methanone Openeye Name: [1-(2-aminoethyl)-3-methoxy-5-(3-methoxybenzoyl)-4-pyrimidin-5-yl-cyclohexa-2,4-dien-1-yl]-(3-piperidyl)methanone CAS Name: [1-(2-aminoethyl)-3-methoxy-5-[(3-methoxyphenyl)-oxomethyl]-4-(5-pyrimidinyl)-1-cyclohexa-2,4-dienyl]-(3-piperidinyl)methanone IUPAC Name: [1-(2-aminoethyl)-3-methoxy-5-(3-methoxybenzoyl)-4-pyrimidin-5-ylcyclohexa-2,4-dien-1-yl]-piperidin-3-ylmethanone Traditional Name: [1-(2-aminoethyl)-5-m-anisoyl-3-methoxy-4-(5-pyrimidyl)cyclohexa-2,4-dien-1-yl]-(3-piperidyl)methanone Formula: C27H32N4O4 MolecularWeight: 476.56738

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)C2=C(C(=CC(C2)(CCN)C(=O)C3CCCNC3)OC)C4=CN=CN=C4

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)C2=C(C(=CC(C2)(CCN)C(=O)C3CCCNC3)OC)C4=CN=CN=C4

InChI

InChI=1S/C27H32N4O4/c1-34-21-7-3-5-18(11-21)25(32)22-12-27(8-9-28,26(33)19-6-4-10-29-14-19)13-23(35-2)24(22)20-15-30-17-31-16-20/h3,5,7,11,13,15-17,19,29H,4,6,8-10,12,14,28H2,1-2H3