N'-phenyl-7-[(1-pyridin-4-ylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboximidamide

Systemtic Name: N'-phenyl-7-[(1-pyridin-4-ylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboximidamide Openeye Name: N'-phenyl-7-[[1-(4-pyridyl)-4-piperidyl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxamidine CAS Name: N'-phenyl-7-[(1-pyridin-4-yl-4-piperidinyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboximidamide IUPAC Name: N'-phenyl-7-[(1-pyridin-4-ylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboximidamide Traditional Name: N'-phenyl-7-[[1-(4-pyridyl)-4-piperidyl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxamidine Formula: C27H31N5O MolecularWeight: 441.56794

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1COC2=CC3=C(CCN(C3)C(=NC4=CC=CC=C4)N)C=C2)C5=CC=NC=C5

Isomeric SMILES

C1CN(CCC1COC2=CC3=C(CCN(C3)C(=NC4=CC=CC=C4)N)C=C2)C5=CC=NC=C5

InChI

InChI=1S/C27H31N5O/c28-27(30-24-4-2-1-3-5-24)32-17-12-22-6-7-26(18-23(22)19-32)33-20-21-10-15-31(16-11-21)25-8-13-29-14-9-25/h1-9,13-14,18,21H,10-12,15-17,19-20H2,(H2,28,30)