8-(diethylamino)-3-oxidanylidene-4-[1-(phenylmethyl)piperidin-4-yl]-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid

Systemtic Name: 8-(diethylamino)-3-oxidanylidene-4-[1-(phenylmethyl)piperidin-4-yl]-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Openeye Name: 4-(1-benzyl-4-piperidyl)-8-(diethylamino)-2-isopropyl-3-oxo-5H-1,4-benzoxazepine-5-carboxylic acid CAS Name: 8-(diethylamino)-3-oxo-4-[1-(phenylmethyl)-4-piperidinyl]-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid IUPAC Name: 4-(1-benzylpiperidin-4-yl)-8-(diethylamino)-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Traditional Name: 4-(1-benzyl-4-piperidyl)-8-(diethylamino)-2-isopropyl-3-keto-5H-1,4-benzoxazepine-5-carboxylic acid Formula: C29H39N3O4 MolecularWeight: 493.63766

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C(N(C(=O)C(O2)C(C)C)C3CCN(CC3)CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C(N(C(=O)C(O2)C(C)C)C3CCN(CC3)CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C29H39N3O4/c1-5-31(6-2)23-12-13-24-25(18-23)36-27(20(3)4)28(33)32(26(24)29(34)35)22-14-16-30(17-15-22)19-21-10-8-7-9-11-21/h7-13,18,20,22,26-27H,5-6,14-17,19H2,1-4H3,(H,34,35)