2-azanyl-1-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]pyrrolo[3,2-b]quinoxaline-3-carbonitrile

Systemtic Name: 2-azanyl-1-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]pyrrolo[3,2-b]quinoxaline-3-carbonitrile Openeye Name: 2-amino-1-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]pyrrolo[3,2-b]quinoxaline-3-carbonitrile CAS Name: 2-amino-1-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-3-pyrrolo[3,2-b]quinoxalinecarbonitrile IUPAC Name: 2-amino-1-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]pyrrolo[3,2-b]quinoxaline-3-carbonitrile Traditional Name: 2-amino-1-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]pyrrolo[3,2-b]quinoxaline-3-carbonitrile Formula: C24H24N6O3S MolecularWeight: 476.55076

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)N3C(=C(C4=NC5=CC=CC=C5N=C43)C#N)N

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)N3C(=C(C4=NC5=CC=CC=C5N=C43)C#N)N

InChI

InChI=1S/C24H24N6O3S/c1-33-21-11-10-16(34(31,32)29-12-6-2-3-7-13-29)14-20(21)30-23(26)17(15-25)22-24(30)28-19-9-5-4-8-18(19)27-22/h4-5,8-11,14H,2-3,6-7,12-13,26H2,1H3