7-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-6-(phenylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one

Systemtic Name: 7-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-6-(phenylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one Openeye Name: 7-[4-(azepan-1-ylsulfonyl)anilino]-6-benzyl-7H-pyrrolo[3,4-b]pyridin-5-one CAS Name: 7-[4-(1-azepanylsulfonyl)anilino]-6-(phenylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one IUPAC Name: 7-[4-(azepan-1-ylsulfonyl)anilino]-6-benzyl-7H-pyrrolo[3,4-b]pyridin-5-one Traditional Name: 7-[4-(azepan-1-ylsulfonyl)anilino]-6-benzyl-7H-pyrrolo[3,4-b]pyridin-5-one Formula: C26H28N4O3S MolecularWeight: 476.59052

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC3C4=C(C=CC=N4)C(=O)N3CC5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC3C4=C(C=CC=N4)C(=O)N3CC5=CC=CC=C5

InChI

InChI=1S/C26H28N4O3S/c31-26-23-11-8-16-27-24(23)25(30(26)19-20-9-4-3-5-10-20)28-21-12-14-22(15-13-21)34(32,33)29-17-6-1-2-7-18-29/h3-5,8-16,25,28H,1-2,6-7,17-19H2