3-oxidanylidene-2-phenyl-2,4-bis(5-piperidin-1-ylpentyl)-1,4-benzoxazine-6-carbonitrile

Systemtic Name: 3-oxidanylidene-2-phenyl-2,4-bis(5-piperidin-1-ylpentyl)-1,4-benzoxazine-6-carbonitrile Openeye Name: 3-oxo-2-phenyl-2,4-bis[5-(1-piperidyl)pentyl]-1,4-benzoxazine-6-carbonitrile CAS Name: 3-oxo-2-phenyl-2,4-bis[5-(1-piperidinyl)pentyl]-1,4-benzoxazine-6-carbonitrile IUPAC Name: 3-oxo-2-phenyl-2,4-bis(5-piperidin-1-ylpentyl)-1,4-benzoxazine-6-carbonitrile Traditional Name: 3-keto-2-phenyl-2,4-bis(5-piperidinopentyl)-1,4-benzoxazine-6-carbonitrile Formula: C35H48N4O2 MolecularWeight: 556.78122

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCCCC2(C(=O)N(C3=C(O2)C=CC(=C3)C#N)CCCCCN4CCCCC4)C5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)CCCCCC2(C(=O)N(C3=C(O2)C=CC(=C3)C#N)CCCCCN4CCCCC4)C5=CC=CC=C5

InChI

InChI=1S/C35H48N4O2/c36-29-30-18-19-33-32(28-30)39(27-15-5-14-26-38-24-12-4-13-25-38)34(40)35(41-33,31-16-6-1-7-17-31)20-8-2-9-21-37-22-10-3-11-23-37/h1,6-7,16-19,28H,2-5,8-15,20-27H2