(4S)-4-[2-(1-adamantyl)-5-phenyl-pyrazol-3-yl]-2-azanyl-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carbonitrile

Systemtic Name: (4S)-4-[2-(1-adamantyl)-5-phenyl-pyrazol-3-yl]-2-azanyl-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carbonitrile Openeye Name: (4S)-4-[2-(1-adamantyl)-5-phenyl-pyrazol-3-yl]-2-amino-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile CAS Name: (4S)-4-[2-(1-adamantyl)-5-phenyl-3-pyrazolyl]-2-amino-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbonitrile IUPAC Name: (4S)-4-[2-(1-adamantyl)-5-phenylpyrazol-3-yl]-2-amino-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile Traditional Name: (4S)-4-[2-(1-adamantyl)-5-phenyl-pyrazol-3-yl]-2-amino-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromene-3-carbonitrile Formula: C31H34N4O2 MolecularWeight: 494.62726

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CC(=NN3C45CC6CC(C4)CC(C6)C5)C7=CC=CC=C7)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C([C@H](C(=C(O2)N)C#N)C3=CC(=NN3C45CC6CC(C4)CC(C6)C5)C7=CC=CC=C7)C(=O)C1)C

InChI

InChI=1S/C31H34N4O2/c1-30(2)15-25(36)28-26(16-30)37-29(33)22(17-32)27(28)24-11-23(21-6-4-3-5-7-21)34-35(24)31-12-18-8-19(13-31)10-20(9-18)14-31/h3-7,11,18-20,27H,8-10,12-16,33H2,1-2H3/t18?,19?,20?,27-,31?/m1/s1