(1S)-2-bis(4-methylphenoxy)phosphoryl-1H-isoquinoline-1-carbonitrile

Systemtic Name: (1S)-2-bis(4-methylphenoxy)phosphoryl-1H-isoquinoline-1-carbonitrile Openeye Name: (1S)-2-bis(4-methylphenoxy)phosphoryl-1H-isoquinoline-1-carbonitrile CAS Name: (1S)-2-bis(4-methylphenoxy)phosphoryl-1H-isoquinoline-1-carbonitrile IUPAC Name: (1S)-2-bis(4-methylphenoxy)phosphoryl-1H-isoquinoline-1-carbonitrile Traditional Name: (1S)-2-bis(4-methylphenoxy)phosphoryl-1H-isoquinoline-1-carbonitrile Formula: C24H21N2O3P MolecularWeight: 416.408901

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OP(=O)(N2C=CC3=CC=CC=C3C2C#N)OC4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)OP(=O)(N2C=CC3=CC=CC=C3[C@H]2C#N)OC4=CC=C(C=C4)C

InChI

InChI=1S/C24H21N2O3P/c1-18-7-11-21(12-8-18)28-30(27,29-22-13-9-19(2)10-14-22)26-16-15-20-5-3-4-6-23(20)24(26)17-25/h3-16,24H,1-2H3/t24-/m1/s1