(6E)-2-azanyl-6-[2-[2-(azepan-1-yl)ethoxy]-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]-4-piperidin-3-yl-1H-pyridine-3-carbonitrile

Systemtic Name: (6E)-2-azanyl-6-[2-[2-(azepan-1-yl)ethoxy]-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]-4-piperidin-3-yl-1H-pyridine-3-carbonitrile Openeye Name: (6E)-2-amino-6-[2-[2-(azepan-1-yl)ethoxy]-6-oxo-cyclohexa-2,4-dien-1-ylidene]-4-(3-piperidyl)-1H-pyridine-3-carbonitrile CAS Name: (6E)-2-amino-6-[2-[2-(1-azepanyl)ethoxy]-6-oxo-1-cyclohexa-2,4-dienylidene]-4-(3-piperidinyl)-1H-pyridine-3-carbonitrile IUPAC Name: (6E)-2-amino-6-[2-[2-(azepan-1-yl)ethoxy]-6-oxocyclohexa-2,4-dien-1-ylidene]-4-piperidin-3-yl-1H-pyridine-3-carbonitrile Traditional Name: (6E)-2-amino-6-[2-[2-(azepan-1-yl)ethoxy]-6-keto-cyclohexa-2,4-dien-1-ylidene]-4-(3-piperidyl)-1H-pyridine-3-carbonitrile Formula: C25H33N5O2 MolecularWeight: 435.56182

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCOC2=CC=CC(=O)C2=C3C=C(C(=C(N3)N)C#N)C4CCCNC4

Isomeric SMILES

C1CCCN(CC1)CCOC\2=CC=CC(=O)/C2=C/3\C=C(C(=C(N3)N)C#N)C4CCCNC4

InChI

InChI=1S/C25H33N5O2/c26-16-20-19(18-7-6-10-28-17-18)15-21(29-25(20)27)24-22(31)8-5-9-23(24)32-14-13-30-11-3-1-2-4-12-30/h5,8-9,15,18,28-29H,1-4,6-7,10-14,17,27H2/b24-21-