5-azanyl-2-[(E)-3-(7-azanyl-3,4,5,6-tetrahydro-2H-azepin-2-yl)prop-1-enyl]benzoate

Systemtic Name: 5-azanyl-2-[(E)-3-(7-azanyl-3,4,5,6-tetrahydro-2H-azepin-2-yl)prop-1-enyl]benzoate Openeye Name: 5-amino-2-[(E)-3-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)prop-1-enyl]benzoate CAS Name: 5-amino-2-[(E)-3-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)prop-1-enyl]benzoate IUPAC Name: 5-amino-2-[(E)-3-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)prop-1-enyl]benzoate Traditional Name: 5-amino-2-[(E)-3-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)prop-1-enyl]benzoate Formula: C16H20N3O2- MolecularWeight: 286.3489

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NC(C1)CC=CC2=C(C=C(C=C2)N)C(=O)[O-])N

Isomeric SMILES

C1CCC(=NC(C1)C/C=C/C2=C(C=C(C=C2)N)C(=O)[O-])N

InChI

InChI=1S/C16H21N3O2/c17-12-9-8-11(14(10-12)16(20)21)4-3-6-13-5-1-2-7-15(18)19-13/h3-4,8-10,13H,1-2,5-7,17H2,(H2,18,19)(H,20,21)/p-1/b4-3+