N'-(1H-azepin-2-yl)-3-(2-methylpropyl)-2-prop-2-enyl-butanediamide

Systemtic Name: N'-(1H-azepin-2-yl)-3-(2-methylpropyl)-2-prop-2-enyl-butanediamide Openeye Name: 2-allyl-N'-(1H-azepin-2-yl)-3-isobutyl-butanediamide CAS Name: N'-(1H-azepin-2-yl)-3-(2-methylpropyl)-2-prop-2-enylbutanediamide IUPAC Name: N'-(1H-azepin-2-yl)-3-(2-methylpropyl)-2-prop-2-enylbutanediamide Traditional Name: 2-allyl-N'-(1H-azepin-2-yl)-3-isobutyl-succinamide Formula: C17H25N3O2 MolecularWeight: 303.3993

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(CC=C)C(=O)N)C(=O)NC1=CC=CC=CN1

Isomeric SMILES

CC(C)CC(C(CC=C)C(=O)N)C(=O)NC1=CC=CC=CN1

InChI

InChI=1S/C17H25N3O2/c1-4-8-13(16(18)21)14(11-12(2)3)17(22)20-15-9-6-5-7-10-19-15/h4-7,9-10,12-14,19H,1,8,11H2,2-3H3,(H2,18,21)(H,20,22)