1-[[(2S)-2,3-bis(oxidanyl)propyl]amino]-6-methoxy-4-phenyl-isoquinoline-3-carbonitrile

Systemtic Name: 1-[[(2S)-2,3-bis(oxidanyl)propyl]amino]-6-methoxy-4-phenyl-isoquinoline-3-carbonitrile Openeye Name: 1-[[(2S)-2,3-dihydroxypropyl]amino]-6-methoxy-4-phenyl-isoquinoline-3-carbonitrile CAS Name: 1-[[(2S)-2,3-dihydroxypropyl]amino]-6-methoxy-4-phenyl-3-isoquinolinecarbonitrile IUPAC Name: 1-[[(2S)-2,3-dihydroxypropyl]amino]-6-methoxy-4-phenylisoquinoline-3-carbonitrile Traditional Name: 1-[[(2S)-2,3-dihydroxypropyl]amino]-6-methoxy-4-phenyl-isoquinoline-3-carbonitrile Formula: C20H19N3O3 MolecularWeight: 349.38316

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=NC(=C2C3=CC=CC=C3)C#N)NCC(CO)O

Isomeric SMILES

COC1=CC2=C(C=C1)C(=NC(=C2C3=CC=CC=C3)C#N)NC[C@@H](CO)O

InChI

InChI=1S/C20H19N3O3/c1-26-15-7-8-16-17(9-15)19(13-5-3-2-4-6-13)18(10-21)23-20(16)22-11-14(25)12-24/h2-9,14,24-25H,11-12H2,1H3,(H,22,23)/t14-/m0/s1