[4-[2-azanyl-5-(3-chlorophenyl)pyrimidin-4-yl]-1H-pyrrol-2-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone

Systemtic Name: [4-[2-azanyl-5-(3-chlorophenyl)pyrimidin-4-yl]-1H-pyrrol-2-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone Openeye Name: [4-[2-amino-5-(3-chlorophenyl)pyrimidin-4-yl]-1H-pyrrol-2-yl]-[4-(1-piperidyl)-1-piperidyl]methanone CAS Name: [4-[2-amino-5-(3-chlorophenyl)-4-pyrimidinyl]-1H-pyrrol-2-yl]-[4-(1-piperidinyl)-1-piperidinyl]methanone IUPAC Name: [4-[2-amino-5-(3-chlorophenyl)pyrimidin-4-yl]-1H-pyrrol-2-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone Traditional Name: [4-[2-amino-5-(3-chlorophenyl)pyrimidin-4-yl]-1H-pyrrol-2-yl]-(4-piperidinopiperidino)methanone Formula: C25H29ClN6O MolecularWeight: 464.99036

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2CCN(CC2)C(=O)C3=CC(=CN3)C4=NC(=NC=C4C5=CC(=CC=C5)Cl)N

Isomeric SMILES

C1CCN(CC1)C2CCN(CC2)C(=O)C3=CC(=CN3)C4=NC(=NC=C4C5=CC(=CC=C5)Cl)N

InChI

InChI=1S/C25H29ClN6O/c26-19-6-4-5-17(13-19)21-16-29-25(27)30-23(21)18-14-22(28-15-18)24(33)32-11-7-20(8-12-32)31-9-2-1-3-10-31/h4-6,13-16,20,28H,1-3,7-12H2,(H2,27,29,30)