3,4-dihydro-1H-isoquinolin-2-yl-[1-(7-phenylpteridin-4-yl)piperidin-4-yl]methanone

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(7-phenylpteridin-4-yl)piperidin-4-yl]methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(7-phenylpteridin-4-yl)-4-piperidyl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(7-phenyl-4-pteridinyl)-4-piperidinyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(7-phenylpteridin-4-yl)piperidin-4-yl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(7-phenylpteridin-4-yl)-4-piperidyl]methanone Formula: C27H26N6O MolecularWeight: 450.53494

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCC3=CC=CC=C3C2)C4=NC=NC5=NC(=CN=C54)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCC1C(=O)N2CCC3=CC=CC=C3C2)C4=NC=NC5=NC(=CN=C54)C6=CC=CC=C6

InChI

InChI=1S/C27H26N6O/c34-27(33-15-10-19-6-4-5-9-22(19)17-33)21-11-13-32(14-12-21)26-24-25(29-18-30-26)31-23(16-28-24)20-7-2-1-3-8-20/h1-9,16,18,21H,10-15,17H2