3-[[(E)-3-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-enoyl]amino]-N-cyclopropyl-benzamide

Systemtic Name: 3-[[(E)-3-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-enoyl]amino]-N-cyclopropyl-benzamide Openeye Name: 3-[[(E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-enoyl]amino]-N-cyclopropyl-benzamide CAS Name: 3-[[(E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-oxoprop-2-enyl]amino]-N-cyclopropylbenzamide IUPAC Name: 3-[[(E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-enoyl]amino]-N-cyclopropylbenzamide Traditional Name: 3-[[(E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acryloyl]amino]-N-cyclopropyl-benzamide Formula: C22H21ClN2O4 MolecularWeight: 412.86614

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C=CC(=O)NC3=CC=CC(=C3)C(=O)NC4CC4)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)/C=C/C(=O)NC3=CC=CC(=C3)C(=O)NC4CC4)Cl)OC1

InChI

InChI=1S/C22H21ClN2O4/c23-18-11-14(12-19-21(18)29-10-2-9-28-19)5-8-20(26)24-17-4-1-3-15(13-17)22(27)25-16-6-7-16/h1,3-5,8,11-13,16H,2,6-7,9-10H2,(H,24,26)(H,25,27)/b8-5+