7-nitro-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-3,4-dihydro-2H-naphthalen-1-one

Systemtic Name: 7-nitro-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-3,4-dihydro-2H-naphthalen-1-one Openeye Name: 7-nitro-2-[4-[2-(2-pyridyl)ethyl]piperazin-1-yl]tetralin-1-one CAS Name: 7-nitro-2-[4-[2-(2-pyridinyl)ethyl]-1-piperazinyl]-3,4-dihydro-2H-naphthalen-1-one IUPAC Name: 7-nitro-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-3,4-dihydro-2H-naphthalen-1-one Traditional Name: 7-nitro-2-[4-[2-(2-pyridyl)ethyl]piperazino]tetralin-1-one Formula: C21H24N4O3 MolecularWeight: 380.44026

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C1N3CCN(CC3)CCC4=CC=CC=N4

Isomeric SMILES

C1CC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C1N3CCN(CC3)CCC4=CC=CC=N4

InChI

InChI=1S/C21H24N4O3/c26-21-19-15-18(25(27)28)6-4-16(19)5-7-20(21)24-13-11-23(12-14-24)10-8-17-3-1-2-9-22-17/h1-4,6,9,15,20H,5,7-8,10-14H2