[1-ethyl-5-[(phenylmethyl)amino]-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [1-ethyl-5-[(phenylmethyl)amino]-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-yl-methanone Openeye Name: [5-(benzylamino)-1-ethyl-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-yl-methanone CAS Name: [1-ethyl-5-[(phenylmethyl)amino]-4,5,6,7-tetrahydroindazol-3-yl]-(1-pyrrolidinyl)methanone IUPAC Name: [5-(benzylamino)-1-ethyl-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone Traditional Name: [5-(benzylamino)-1-ethyl-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidino-methanone Formula: C21H28N4O MolecularWeight: 352.47322

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(CC(CC2)NCC3=CC=CC=C3)C(=N1)C(=O)N4CCCC4

Isomeric SMILES

CCN1C2=C(CC(CC2)NCC3=CC=CC=C3)C(=N1)C(=O)N4CCCC4

InChI

InChI=1S/C21H28N4O/c1-2-25-19-11-10-17(22-15-16-8-4-3-5-9-16)14-18(19)20(23-25)21(26)24-12-6-7-13-24/h3-5,8-9,17,22H,2,6-7,10-15H2,1H3