6-azanyl-4-[5-bromanyl-1-(phenylmethyl)indol-3-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Systemtic Name: 6-azanyl-4-[5-bromanyl-1-(phenylmethyl)indol-3-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Openeye Name: 6-amino-4-(1-benzyl-5-bromo-indol-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile CAS Name: 6-amino-4-[5-bromo-1-(phenylmethyl)-3-indolyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile IUPAC Name: 6-amino-4-(1-benzyl-5-bromoindol-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Traditional Name: 6-amino-4-(1-benzyl-5-bromo-indol-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Formula: C23H18BrN5O MolecularWeight: 460.32592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CN(C4=C3C=C(C=C4)Br)CC5=CC=CC=C5

Isomeric SMILES

CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CN(C4=C3C=C(C=C4)Br)CC5=CC=CC=C5

InChI

InChI=1S/C23H18BrN5O/c1-13-20-21(17(10-25)22(26)30-23(20)28-27-13)18-12-29(11-14-5-3-2-4-6-14)19-8-7-15(24)9-16(18)19/h2-9,12,21H,11,26H2,1H3,(H,27,28)