2-azanyl-3-(4-methoxyphenyl)carbonyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-1-carbonitrile

Systemtic Name: 2-azanyl-3-(4-methoxyphenyl)carbonyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-1-carbonitrile Openeye Name: 2-amino-3-(4-methoxybenzoyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-1-carbonitrile CAS Name: 2-amino-3-[(4-methoxyphenyl)-oxomethyl]-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-1-carbonitrile IUPAC Name: 2-amino-3-(4-methoxybenzoyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-1-carbonitrile Traditional Name: 2-amino-3-p-anisoyl-6,7,8,9-tetrahydro-5H-pyrrol[1,2-a]azepine-1-carbonitrile Formula: C18H19N3O2 MolecularWeight: 309.36236

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C2=C(C(=C3N2CCCCC3)C#N)N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C2=C(C(=C3N2CCCCC3)C#N)N

InChI

InChI=1S/C18H19N3O2/c1-23-13-8-6-12(7-9-13)18(22)17-16(20)14(11-19)15-5-3-2-4-10-21(15)17/h6-9H,2-5,10,20H2,1H3