(4S)-6-azanyl-4-(3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Systemtic Name: (4S)-6-azanyl-4-(3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Openeye Name: (4S)-6-amino-4-(4-benzyloxy-3-bromo-5-ethoxy-phenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile CAS Name: (4S)-6-amino-4-(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile IUPAC Name: (4S)-6-amino-4-(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Traditional Name: (4S)-6-amino-4-(4-benzoxy-3-bromo-5-ethoxy-phenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Formula: C23H21BrN4O3 MolecularWeight: 481.34184

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2C(=C(OC3=NNC(=C23)C)N)C#N)Br)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C(=CC(=C1)[C@H]2C(=C(OC3=NNC(=C23)C)N)C#N)Br)OCC4=CC=CC=C4

InChI

InChI=1S/C23H21BrN4O3/c1-3-29-18-10-15(9-17(24)21(18)30-12-14-7-5-4-6-8-14)20-16(11-25)22(26)31-23-19(20)13(2)27-28-23/h4-10,20H,3,12,26H2,1-2H3,(H,27,28)/t20-/m0/s1