3,4-dihydro-1H-isoquinolin-2-yl-[4-[4-(2-pyrazin-2-ylethylamino)piperidin-1-yl]phenyl]methanone

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-[4-(2-pyrazin-2-ylethylamino)piperidin-1-yl]phenyl]methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-[4-(2-pyrazin-2-ylethylamino)-1-piperidyl]phenyl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-[4-[2-(2-pyrazinyl)ethylamino]-1-piperidinyl]phenyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-[4-(2-pyrazin-2-ylethylamino)piperidin-1-yl]phenyl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-[4-(2-pyrazin-2-ylethylamino)piperidino]phenyl]methanone Formula: C27H31N5O MolecularWeight: 441.56794

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NCCC2=NC=CN=C2)C3=CC=C(C=C3)C(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

C1CN(CCC1NCCC2=NC=CN=C2)C3=CC=C(C=C3)C(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C27H31N5O/c33-27(32-16-10-21-3-1-2-4-23(21)20-32)22-5-7-26(8-6-22)31-17-11-24(12-18-31)29-13-9-25-19-28-14-15-30-25/h1-8,14-15,19,24,29H,9-13,16-18,20H2