4-(azepan-1-yl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-nitro-benzamide

Systemtic Name: 4-(azepan-1-yl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-[(4S)-chroman-4-yl]-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-[(4S)-3,4-dihydro-2H-1-benzopyran-4-yl]-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-[(4S)-chroman-4-yl]-3-nitro-benzamide Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NC3CCOC4=CC=CC=C34)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)N[C@H]3CCOC4=CC=CC=C34)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O4/c26-22(23-18-11-14-29-21-8-4-3-7-17(18)21)16-9-10-19(20(15-16)25(27)28)24-12-5-1-2-6-13-24/h3-4,7-10,15,18H,1-2,5-6,11-14H2,(H,23,26)/t18-/m0/s1