(E)-1-[2-azanyl-4-(1-piperidin-4-ylpyrrolidin-3-yl)pyrimidin-5-yl]-3-phenyl-prop-2-en-1-one

Systemtic Name: (E)-1-[2-azanyl-4-(1-piperidin-4-ylpyrrolidin-3-yl)pyrimidin-5-yl]-3-phenyl-prop-2-en-1-one Openeye Name: (E)-1-[2-amino-4-[1-(4-piperidyl)pyrrolidin-3-yl]pyrimidin-5-yl]-3-phenyl-prop-2-en-1-one CAS Name: (E)-1-[2-amino-4-[1-(4-piperidinyl)-3-pyrrolidinyl]-5-pyrimidinyl]-3-phenyl-2-propen-1-one IUPAC Name: (E)-1-[2-amino-4-(1-piperidin-4-ylpyrrolidin-3-yl)pyrimidin-5-yl]-3-phenylprop-2-en-1-one Traditional Name: (E)-1-[2-amino-4-[1-(4-piperidyl)pyrrolidin-3-yl]pyrimidin-5-yl]-3-phenyl-prop-2-en-1-one Formula: C22H27N5O MolecularWeight: 377.48268

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1N2CCC(C2)C3=NC(=NC=C3C(=O)C=CC4=CC=CC=C4)N

Isomeric SMILES

C1CNCCC1N2CCC(C2)C3=NC(=NC=C3C(=O)/C=C/C4=CC=CC=C4)N

InChI

InChI=1S/C22H27N5O/c23-22-25-14-19(20(28)7-6-16-4-2-1-3-5-16)21(26-22)17-10-13-27(15-17)18-8-11-24-12-9-18/h1-7,14,17-18,24H,8-13,15H2,(H2,23,25,26)/b7-6+