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

Systemtic Name: [5-azanyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]-piperidin-1-yl-methanone Openeye Name: [5-amino-2-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]-(1-piperidyl)methanone CAS Name: [5-amino-2-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]-(1-piperidinyl)methanone IUPAC Name: [5-amino-2-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]-piperidin-1-ylmethanone Traditional Name: [5-amino-2-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]-piperidino-methanone Formula: C21H25N3O MolecularWeight: 335.4427

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=C(C=CC(=C2)N)N3CCC4=CC=CC=C4C3

Isomeric SMILES

C1CCN(CC1)C(=O)C2=C(C=CC(=C2)N)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H25N3O/c22-18-8-9-20(19(14-18)21(25)23-11-4-1-5-12-23)24-13-10-16-6-2-3-7-17(16)15-24/h2-3,6-9,14H,1,4-5,10-13,15,22H2