azepan-1-yl-(5,6-dimethyl-7-phenyl-4-piperidin-1-yl-pyrrolo[2,3-d]pyrimidin-2-yl)methanone

Systemtic Name: azepan-1-yl-(5,6-dimethyl-7-phenyl-4-piperidin-1-yl-pyrrolo[2,3-d]pyrimidin-2-yl)methanone Openeye Name: azepan-1-yl-[5,6-dimethyl-7-phenyl-4-(1-piperidyl)pyrrolo[2,3-d]pyrimidin-2-yl]methanone CAS Name: 1-azepanyl-[5,6-dimethyl-7-phenyl-4-(1-piperidinyl)-2-pyrrolo[2,3-d]pyrimidinyl]methanone IUPAC Name: azepan-1-yl-(5,6-dimethyl-7-phenyl-4-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-2-yl)methanone Traditional Name: azepan-1-yl-(5,6-dimethyl-7-phenyl-4-piperidino-pyrrolo[2,3-d]pyrimidin-2-yl)methanone Formula: C26H33N5O MolecularWeight: 431.57312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=NC(=N2)C(=O)N3CCCCCC3)N4CCCCC4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(N(C2=C1C(=NC(=N2)C(=O)N3CCCCCC3)N4CCCCC4)C5=CC=CC=C5)C

InChI

InChI=1S/C26H33N5O/c1-19-20(2)31(21-13-7-5-8-14-21)25-22(19)24(29-15-11-6-12-16-29)27-23(28-25)26(32)30-17-9-3-4-10-18-30/h5,7-8,13-14H,3-4,6,9-12,15-18H2,1-2H3