N-[(2S)-1-azanyl-3-phenyl-propan-2-yl]-4,5-dihydro-1H-pyrrolo[2,3-f]isoquinoline-3-carboxamide

Systemtic Name: N-[(2S)-1-azanyl-3-phenyl-propan-2-yl]-4,5-dihydro-1H-pyrrolo[2,3-f]isoquinoline-3-carboxamide Openeye Name: N-[(1S)-1-(aminomethyl)-2-phenyl-ethyl]-4,5-dihydro-1H-pyrrolo[2,3-f]isoquinoline-3-carboxamide CAS Name: N-[(2S)-1-amino-3-phenylpropan-2-yl]-4,5-dihydro-1H-pyrrolo[2,3-f]isoquinoline-3-carboxamide IUPAC Name: N-[(2S)-1-amino-3-phenylpropan-2-yl]-4,5-dihydro-1H-pyrrolo[2,3-f]isoquinoline-3-carboxamide Traditional Name: N-[(1S)-1-(aminomethyl)-2-phenyl-ethyl]-4,5-dihydro-1H-pyrrol[2,3-f]isoquinoline-3-carboxamide Formula: C21H22N4O MolecularWeight: 346.42558

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=C1C=NC=C3)NC=C2C(=O)NC(CC4=CC=CC=C4)CN

Isomeric SMILES

C1CC2=C(C3=C1C=NC=C3)NC=C2C(=O)N[C@@H](CC4=CC=CC=C4)CN

InChI

InChI=1S/C21H22N4O/c22-11-16(10-14-4-2-1-3-5-14)25-21(26)19-13-24-20-17-8-9-23-12-15(17)6-7-18(19)20/h1-5,8-9,12-13,16,24H,6-7,10-11,22H2,(H,25,26)/t16-/m0/s1