1-[[1-(5-nitropyridin-2-yl)piperidin-4-yl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboximidamide

Systemtic Name: 1-[[1-(5-nitropyridin-2-yl)piperidin-4-yl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboximidamide Openeye Name: 1-[[1-(5-nitro-2-pyridyl)-4-piperidyl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxamidine CAS Name: 1-[[1-(5-nitro-2-pyridinyl)-4-piperidinyl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboximidamide IUPAC Name: 1-[[1-(5-nitropyridin-2-yl)piperidin-4-yl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboximidamide Traditional Name: 1-[[1-(5-nitro-2-pyridyl)-4-piperidyl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxamidine Formula: C21H26N6O3 MolecularWeight: 410.46954

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1COC2C3=CC=CC=C3CCN2C(=N)N)C4=NC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1COC2C3=CC=CC=C3CCN2C(=N)N)C4=NC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H26N6O3/c22-21(23)26-12-9-16-3-1-2-4-18(16)20(26)30-14-15-7-10-25(11-8-15)19-6-5-17(13-24-19)27(28)29/h1-6,13,15,20H,7-12,14H2,(H3,22,23)