3,4-dihydro-1H-isoquinolin-2-yl-(3-nitro-4-piperidin-1-yl-phenyl)methanone

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-(3-nitro-4-piperidin-1-yl-phenyl)methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[3-nitro-4-(1-piperidyl)phenyl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[3-nitro-4-(1-piperidinyl)phenyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-(3-nitro-4-piperidin-1-ylphenyl)methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-(3-nitro-4-piperidino-phenyl)methanone Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCC4=CC=CC=C4C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCC4=CC=CC=C4C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O3/c25-21(23-13-10-16-6-2-3-7-18(16)15-23)17-8-9-19(20(14-17)24(26)27)22-11-4-1-5-12-22/h2-3,6-9,14H,1,4-5,10-13,15H2